2- (4,4-Dimethylcyclohexyl) acetaldehyde

CAT: 0127-OR1071218-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1071218-01Size:50 mg

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CAS Number

1547036-81-6

MDL Number

MFCD28605199

Purity

95%

Smiles

O=CCC1CCC(C)(C)CC1

Chemical Information

2-(4,4-Dimethylcyclohexyl)acetaldehyde

CAS Number	1547036-81-6
PubChem CID	23590934
IUPAC Name	2-(4,4-dimethylcyclohexyl)acetaldehyde
Molecular Formula	C10H18O
Molecular Weight	154.25
XLogP	3
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Heavy Atom Count	11
Formal Charge	0
Complexity	128

SMILES

CC1(CCC(CC1)CC=O)C

InChI

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

InChIKey

YEACCBWVDDIELV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1547036-81-6

CID: 23590934

Formula: C10H18O

MW: 154.25

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	154.25
XLogP3	3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	154.135765193
Monoisotopic Mass	154.135765193
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	128
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
OR1047703-01	2- (4,4-Dimethylcyclohexyl) phenol
OR1102478-01	2- (4,4-Dimethylcyclohexyl) acetic acid
OR1090236-01	2-bromo-4- (4,4-dimethylcyclohexyl) phenol
OR1085653-01	4- (4,4-Dimethylcyclohexyl) -benzenmethanol
OR1091827-01	4- (4,4-Dimethylcyclohexyl) phenol
OR1085597-01	4- (4,4-dimethylcyclohexyl) -benzaldehyde
OR1086450-01	4- (4,4-Dimethylcyclohexyl) -α, α-dimethylbenzenemethanol
OR1093466-01	2- (4-methoxyphenoxy) acetaldehyde
OR1054334	2- (4-Nitrophenyl) acetaldehyde
PC904883-01	2- (4-fluorophenyl) acetaldehyde

Catalog	Name
JH915500	2- (4,4-dimethylcyclohexyl) acetaldehyde
sc-277396	(4-Fluorophenyl) acetaldehyde
AAA10409	(4-Methylphenyl) acetaldehyde
EAA39592-01	(4-Isopropylphenyl) acetaldehyde
BAA46005-01	(4-Nitrophenyl) acetaldehyde
431297-01	(4-Bromophenyl) acetaldehyde
269838-01	(4-Chlorophenyl) acetaldehyde
FM66809-01	4-Methoxycinnamylidene acetaldehyde
sc-214460	Acetaldehyde-2,4-dinitrophenylhydrazone
TRC-A132700-1G	Acetaldehyde 2,4-Dinitrophenylhydrazone