4-(2-ethylcyclohexyl)heptan-4-ol

C15H30O — CID 114865932

IUPAC4-(2-ethylcyclohexyl)heptan-4-ol
SMILESCCCC(O)(CCC)C1CCCCC1CC
InChIInChI=1S/C15H30O/c1-4-11-15(16,12-5-2)14-10-8-7-9-13(14)6-3/h13-14,16H,4-12H2,1-3H3
InChIKeyDBSPFIBNVDWAAO-UHFFFAOYSA-N
MW226.40 g/mol
LogP4.53
Rot. Bonds6

About 4-(2-ethylcyclohexyl)heptan-4-ol

4-(2-ethylcyclohexyl)heptan-4-ol (PubChem CID 114865932) has the molecular formula C15H30O and a molecular weight of 226.40 g/mol. Its IUPAC name is 4-(2-ethylcyclohexyl)heptan-4-ol.

Molecular Properties

Compound Name4-(2-ethylcyclohexyl)heptan-4-ol
PubChem CID114865932
Molecular FormulaC15H30O
Molecular Weight226.40 g/mol
Exact Mass226.23
IUPAC Name4-(2-ethylcyclohexyl)heptan-4-ol
SMILESCCCC(O)(CCC)C1CCCCC1CC
InChIInChI=1S/C15H30O/c1-4-11-15(16,12-5-2)14-10-8-7-9-13(14)6-3/h13-14,16H,4-12H2,1-3H3
InChIKeyDBSPFIBNVDWAAO-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

2-(2-ethylcyclopentyl)propan-2-ol
CID 143832066
1-cyclopropyl-1-(2-ethylcyclohexyl)ethanol
CID 63863435
4-cyclopentylheptan-4-ol
CID 114865959
1-ethyl-2-[2-(2-ethylcyclohexyl)propan-2-yl]cyclohexane
CID 154060366
1-cyclopropyl-1-(2-ethylcyclohexyl)propan-1-ol
CID 64918490
4-cycloheptylheptan-4-ol
CID 114866126
(2S)-1-ethyl-2-(trifluoromethyl)cyclohexane
CID 135256943
3-(2-ethylcyclohexyl)pentan-3-amine
CID 63861274
ethyl 2-(2-ethylcyclohexyl)-2-hydroxypropanoate
CID 79298576
CID 160611346
CID 160611346
1-(2-ethylcyclohexyl)-1-(2-methylphenyl)ethanol
CID 55251269
2-(2-ethylcyclohexyl)-3-methylpentan-2-amine
CID 63861635

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylcyclohexyl)heptan-4-ol?
The IUPAC name of 4-(2-ethylcyclohexyl)heptan-4-ol (CID 114865932) is 4-(2-ethylcyclohexyl)heptan-4-ol.
What is the SMILES notation for 4-(2-ethylcyclohexyl)heptan-4-ol?
The canonical SMILES for 4-(2-ethylcyclohexyl)heptan-4-ol is CCCC(O)(CCC)C1CCCCC1CC.
What is the InChIKey of 4-(2-ethylcyclohexyl)heptan-4-ol?
The InChIKey is DBSPFIBNVDWAAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O/c1-4-11-15(16,12-5-2)14-10-8-7-9-13(14)6-3/h13-14,16H,4-12H2,1-3H3.
What are the key properties of 4-(2-ethylcyclohexyl)heptan-4-ol?
4-(2-ethylcyclohexyl)heptan-4-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 4-(2-ethylcyclohexyl)heptan-4-ol is sourced from PubChem (CID 114865932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).