4-Propylcyclohexane-1-carbaldehyde

CAT: 0926-JIA73540-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-JIA73540-01Size:50 mg

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CAS Number

209735-40-0

MDL Number

MFCD21321759

Smiles

CCCC1CCC (CC1) C=O

Molecular Formula

C10H18O

Molecular Weight

154.25 g/mol

Controlled

Chemical Information

4-Propylcyclohexanecarboxaldehyde

See also: 4-Propylcyclohexancarbaldehyd (annotation moved to).

CAS Number	209735-40-0
PubChem CID	15919403
IUPAC Name	4-propylcyclohexane-1-carbaldehyde
Molecular Formula	C10H18O
Molecular Weight	154.25
XLogP	3.1
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Heavy Atom Count	11
Formal Charge	0
Complexity	112

SMILES

CCCC1CCC(CC1)C=O

InChI

InChI=1S/C10H18O/c1-2-3-9-4-6-10(8-11)7-5-9/h8-10H,2-7H2,1H3

InChIKey

OZKLOXFZSOVSRA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 209735-40-0

CID: 15919403

Formula: C10H18O

MW: 154.25

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	154.25
XLogP3	3.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Exact Mass	154.135765193
Monoisotopic Mass	154.135765193
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	112
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
SQB02729-01	1-Amino-N-propylcyclohexane-1-carboxamide
FD104547	4,4-difluorocyclohexane-1-carbaldehyde
UQA73496-01	4,4-dimethylcyclohexane-1-carbaldehyde
PFA60560-01	4-Methanesulfonylpiperazine-1-carbaldehyde
DMB90883	4-cyclohexanecarbonylpiperazine-1-carbaldehyde
KHD02436-01	4-Phenylcycloheptane-1-carbaldehyde
IQB36178-01	4-Bromoisoquinoline-1-carbaldehyde
IBA24279-01	4-Methylcyclohexane-1-carbaldehyde
GQB33332	1-Isobutylpyrazole-4-carbaldehyde
SBA75854-01	4-Nitronaphthalene-1-carbaldehyde

Catalog	Name
OR937634	1-Amino-4-propylcyclohexane
OR1008172-01	(4-Methoxyphenyl) 4-Propylcyclohexane-1-Carboxylate
TN9247-01	Propylcyclohexane
OR1037074	4-Cyanophenyl trans-4-propylcyclohexane-1-carboxylate
RG-A261138-01	1-Methyl-3-Propylcyclohexane
OR1053310-01	4- (p-Tolylethynyl) phenyl 4-propylcyclohexane-1-carboxylate
PC50049	Perfluoro (propylcyclohexane)
RG-A261137-01	1-Methyl-2-Propylcyclohexane
OR7071	5-Propylcyclohexane-1,3-dione
PC57450	Perfluoromethyl-iso-propylcyclohexane