1-cycloheptyl-5-methylhexan-2-ol

C14H28O — CID 115783773

IUPAC1-cycloheptyl-5-methylhexan-2-ol
SMILESCC(C)CCC(O)CC1CCCCCC1
InChIInChI=1S/C14H28O/c1-12(2)9-10-14(15)11-13-7-5-3-4-6-8-13/h12-15H,3-11H2,1-2H3
InChIKeyJKYXTYQQDYZQIC-UHFFFAOYSA-N
MW212.38 g/mol
LogP4.14
Rot. Bonds5

About 1-cycloheptyl-5-methylhexan-2-ol

1-cycloheptyl-5-methylhexan-2-ol (PubChem CID 115783773) has the molecular formula C14H28O and a molecular weight of 212.38 g/mol. Its IUPAC name is 1-cycloheptyl-5-methylhexan-2-ol.

Molecular Properties

Compound Name1-cycloheptyl-5-methylhexan-2-ol
PubChem CID115783773
Molecular FormulaC14H28O
Molecular Weight212.38 g/mol
Exact Mass212.21
IUPAC Name1-cycloheptyl-5-methylhexan-2-ol
SMILESCC(C)CCC(O)CC1CCCCCC1
InChIInChI=1S/C14H28O/c1-12(2)9-10-14(15)11-13-7-5-3-4-6-8-13/h12-15H,3-11H2,1-2H3
InChIKeyJKYXTYQQDYZQIC-UHFFFAOYSA-N
XLogP4.14
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclopentyl-7-methyloctane-2,5-diol
CID 103160953
1-cyclohexyl-6-methylheptane-2,4-diol
CID 173250018
(2S)-1-(cyclohexylmethylamino)-5-methylhexan-2-ol
CID 54336883
1-cyclopropylhexane-2,5-diol
CID 90882458
(2R)-1-cyclohexylbutan-2-ol
CID 59949714
1-cycloheptyloctan-2-ol
CID 115783533
(2S,3R,4S)-2-amino-1-cyclohexyl-7-methyloctane-3,4-diol
CID 15042536
bis(2-methylpropylcyclohexane);2-methylpropylcyclopentane
CID 159474199
3-methylbutylcyclobutane;3-methylbutylcycloheptane;3-methylbutylcyclohexane;3-methylbutylcyclopentane;3-methylbutylcyclopropane;2-methylpropylcyclobutane;2-methylpropylcycloheptane;2-methylpropylcyclohexane;2-methylpropylcyclopentane;2-methylpropylcyclopropane
CID 159602512
1-cyclopentyl-4-methylsulfanylbutan-2-ol
CID 65148807
1-cyclopentyl-3-[cyclopropyl(3-methylbutyl)amino]propan-2-ol
CID 103159907
1-amino-1-cyclohexyl-6-methylheptan-3-ol
CID 22367824

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-5-methylhexan-2-ol?
The IUPAC name of 1-cycloheptyl-5-methylhexan-2-ol (CID 115783773) is 1-cycloheptyl-5-methylhexan-2-ol.
What is the SMILES notation for 1-cycloheptyl-5-methylhexan-2-ol?
The canonical SMILES for 1-cycloheptyl-5-methylhexan-2-ol is CC(C)CCC(O)CC1CCCCCC1.
What is the InChIKey of 1-cycloheptyl-5-methylhexan-2-ol?
The InChIKey is JKYXTYQQDYZQIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O/c1-12(2)9-10-14(15)11-13-7-5-3-4-6-8-13/h12-15H,3-11H2,1-2H3.
What are the key properties of 1-cycloheptyl-5-methylhexan-2-ol?
1-cycloheptyl-5-methylhexan-2-ol has a molecular weight of 212.38 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-5-methylhexan-2-ol is sourced from PubChem (CID 115783773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).