5-methyl-2-(3-methylbutan-2-yl)octan-1-ol

C14H30O — CID 23315972

IUPAC5-methyl-2-(3-methylbutan-2-yl)octan-1-ol
SMILESCCCC(C)CCC(CO)C(C)C(C)C
InChIInChI=1S/C14H30O/c1-6-7-12(4)8-9-14(10-15)13(5)11(2)3/h11-15H,6-10H2,1-5H3
InChIKeyULBPJHIQRKFGBZ-UHFFFAOYSA-N
MW214.39 g/mol
LogP4.10
Rot. Bonds8

About 5-methyl-2-(3-methylbutan-2-yl)octan-1-ol

5-methyl-2-(3-methylbutan-2-yl)octan-1-ol (PubChem CID 23315972) has the molecular formula C14H30O and a molecular weight of 214.39 g/mol. Its IUPAC name is 5-methyl-2-(3-methylbutan-2-yl)octan-1-ol.

Molecular Properties

Compound Name5-methyl-2-(3-methylbutan-2-yl)octan-1-ol
PubChem CID23315972
Molecular FormulaC14H30O
Molecular Weight214.39 g/mol
Exact Mass214.23
IUPAC Name5-methyl-2-(3-methylbutan-2-yl)octan-1-ol
SMILESCCCC(C)CCC(CO)C(C)C(C)C
InChIInChI=1S/C14H30O/c1-6-7-12(4)8-9-14(10-15)13(5)11(2)3/h11-15H,6-10H2,1-5H3
InChIKeyULBPJHIQRKFGBZ-UHFFFAOYSA-N
XLogP4.10
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.39
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5,6-dimethyl-2-(3-methylbutan-2-yl)heptan-1-ol
CID 23315884
N,N,5-trimethyl-2-(3-methylbutan-2-yl)octan-1-amine
CID 170849412
4,6-diethyl-2,3,9-trimethyldodecane
CID 123599024
4-methylheptane
CID 91413347
4-methylheptane
CID 11512
4-methylheptane;propane
CID 142171269
azane;2-methylpentan-1-ol;dihydrochloride
CID 174415462
4,10-dimethyltridecan-7-ol
CID 10633137
4-methyl-2-propylpentane-1,3-diol
CID 176549638
(3R,6R)-3,6-dimethylnonane
CID 170848352
magnesium;hydride;2-methylpentan-1-ol;hydrochloride
CID 174286347
ethane;4-ethyl-2,3-dimethylheptane
CID 142330758

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(3-methylbutan-2-yl)octan-1-ol?
The IUPAC name of 5-methyl-2-(3-methylbutan-2-yl)octan-1-ol (CID 23315972) is 5-methyl-2-(3-methylbutan-2-yl)octan-1-ol.
What is the SMILES notation for 5-methyl-2-(3-methylbutan-2-yl)octan-1-ol?
The canonical SMILES for 5-methyl-2-(3-methylbutan-2-yl)octan-1-ol is CCCC(C)CCC(CO)C(C)C(C)C.
What is the InChIKey of 5-methyl-2-(3-methylbutan-2-yl)octan-1-ol?
The InChIKey is ULBPJHIQRKFGBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O/c1-6-7-12(4)8-9-14(10-15)13(5)11(2)3/h11-15H,6-10H2,1-5H3.
What are the key properties of 5-methyl-2-(3-methylbutan-2-yl)octan-1-ol?
5-methyl-2-(3-methylbutan-2-yl)octan-1-ol has a molecular weight of 214.39 g/mol, XLogP of 4.10, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(3-methylbutan-2-yl)octan-1-ol is sourced from PubChem (CID 23315972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).