1-cyclohexyl-2,2-dimethylheptan-3-ol

C15H30O — CID 23080935

IUPAC1-cyclohexyl-2,2-dimethylheptan-3-ol
SMILESCCCCC(O)C(C)(C)CC1CCCCC1
InChIInChI=1S/C15H30O/c1-4-5-11-14(16)15(2,3)12-13-9-7-6-8-10-13/h13-14,16H,4-12H2,1-3H3
InChIKeyLPSVQFHFWBQNLD-UHFFFAOYSA-N
MW226.40 g/mol
LogP4.53
Rot. Bonds6

About 1-cyclohexyl-2,2-dimethylheptan-3-ol

1-cyclohexyl-2,2-dimethylheptan-3-ol (PubChem CID 23080935) has the molecular formula C15H30O and a molecular weight of 226.40 g/mol. Its IUPAC name is 1-cyclohexyl-2,2-dimethylheptan-3-ol.

Molecular Properties

Compound Name1-cyclohexyl-2,2-dimethylheptan-3-ol
PubChem CID23080935
Molecular FormulaC15H30O
Molecular Weight226.40 g/mol
Exact Mass226.23
IUPAC Name1-cyclohexyl-2,2-dimethylheptan-3-ol
SMILESCCCCC(O)C(C)(C)CC1CCCCC1
InChIInChI=1S/C15H30O/c1-4-5-11-14(16)15(2,3)12-13-9-7-6-8-10-13/h13-14,16H,4-12H2,1-3H3
InChIKeyLPSVQFHFWBQNLD-UHFFFAOYSA-N
XLogP4.53
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.40
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclopropyl-2,2-dimethylheptan-3-amine
CID 134293473
2,2-dimethylheptane-1,3-diol
CID 57266054
boric acid;2,2-dimethylheptane-1,3-diol
CID 159719019
1-cycloheptyloctan-2-ol
CID 115783533
cyclohexylmethanol;hexane-1,1-diol
CID 67776796
1-cyclopentyldecan-3-ol
CID 115783211
1,3-dicyclopropyl-2,2-dimethylpropan-1-ol
CID 141352215
1-cyclopentylheptan-4-ol
CID 64516527
tetradecylcycloundecane
CID 169026040
docosylcyclohexane
CID 521991
tetradecylcyclododecane
CID 169026037
1-cyclohexyl-2-methylpropan-2-ol;ethane
CID 91251798

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2,2-dimethylheptan-3-ol?
The IUPAC name of 1-cyclohexyl-2,2-dimethylheptan-3-ol (CID 23080935) is 1-cyclohexyl-2,2-dimethylheptan-3-ol.
What is the SMILES notation for 1-cyclohexyl-2,2-dimethylheptan-3-ol?
The canonical SMILES for 1-cyclohexyl-2,2-dimethylheptan-3-ol is CCCCC(O)C(C)(C)CC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2,2-dimethylheptan-3-ol?
The InChIKey is LPSVQFHFWBQNLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O/c1-4-5-11-14(16)15(2,3)12-13-9-7-6-8-10-13/h13-14,16H,4-12H2,1-3H3.
What are the key properties of 1-cyclohexyl-2,2-dimethylheptan-3-ol?
1-cyclohexyl-2,2-dimethylheptan-3-ol has a molecular weight of 226.40 g/mol, XLogP of 4.53, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2,2-dimethylheptan-3-ol is sourced from PubChem (CID 23080935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).