3-Butylheptan-1-ol

CAT: 0127-OR1033486-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1033486-01Size:100 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

51655-56-2

Purity

98%

Smiles

CCCCC(CCO)CCCC

Chemical Information

3-Butyl-1-heptanol

CAS Number	51655-56-2
PubChem CID	22492551
IUPAC Name	3-butylheptan-1-ol
Molecular Formula	C11H24O
Molecular Weight	172.31
XLogP	4.5
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	8
Heavy Atom Count	12
Formal Charge	0
Complexity	73

SMILES

CCCCC(CCCC)CCO

InChI

InChI=1S/C11H24O/c1-3-5-7-11(9-10-12)8-6-4-2/h11-12H,3-10H2,1-2H3

InChIKey

JVZDVHQHXNGWRQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 51655-56-2

CID: 22492551

Formula: C11H24O

MW: 172.31

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	172.31
XLogP3	4.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	8
Exact Mass	172.182715385
Monoisotopic Mass	172.182715385
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	73.1
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
EDA80279-01	1,3,3-Trimethylcyclohexan-1-ol
JH198816	3,3-diphenylpropan-1-ol
AAA76712-01	3,3-Dimethylcyclohexan-1-ol
IJB35936-01	3,3-Difluorobutan-1-ol
PDC45170-01	1-Cyclopropanecarbonylazetidin-3-ol
OO173738-01	1-Octen-3-ol
FB32430	3-Buten-1-ol
HJB28053-01	1-phenylazetidin-3-ol
EAA53476-01	3-Ethylcyclohexan-1-ol
DDA11992-01	3-Ethoxycyclobutan-1-ol