1-(2,2-dimethylcyclohexyl)-3-ethylpentan-1-ol

C15H30O — CID 107192806

IUPAC1-(2,2-dimethylcyclohexyl)-3-ethylpentan-1-ol
SMILESCCC(CC)CC(O)C1CCCCC1(C)C
InChIInChI=1S/C15H30O/c1-5-12(6-2)11-14(16)13-9-7-8-10-15(13,3)4/h12-14,16H,5-11H2,1-4H3
InChIKeyBGTWOBGQWYNPBP-UHFFFAOYSA-N
MW226.40 g/mol
LogP4.39
Rot. Bonds5

About 1-(2,2-dimethylcyclohexyl)-3-ethylpentan-1-ol

1-(2,2-dimethylcyclohexyl)-3-ethylpentan-1-ol (PubChem CID 107192806) has the molecular formula C15H30O and a molecular weight of 226.40 g/mol. Its IUPAC name is 1-(2,2-dimethylcyclohexyl)-3-ethylpentan-1-ol.

Molecular Properties

Compound Name1-(2,2-dimethylcyclohexyl)-3-ethylpentan-1-ol
PubChem CID107192806
Molecular FormulaC15H30O
Molecular Weight226.40 g/mol
Exact Mass226.23
IUPAC Name1-(2,2-dimethylcyclohexyl)-3-ethylpentan-1-ol
SMILESCCC(CC)CC(O)C1CCCCC1(C)C
InChIInChI=1S/C15H30O/c1-5-12(6-2)11-14(16)13-9-7-8-10-15(13,3)4/h12-14,16H,5-11H2,1-4H3
InChIKeyBGTWOBGQWYNPBP-UHFFFAOYSA-N
XLogP4.39
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.40
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-cyclohexyl-1-(2,2-dimethylcyclopentyl)ethanol
CID 107192138
1-(2,2-dimethylcyclohexyl)-N-methylpropan-1-amine
CID 79852591
1-(2,2-dimethylcyclohexyl)-2-(5-ethylthiophen-2-yl)ethanol
CID 107192144
2-(2,2-dimethylcyclohexyl)-2-hydroxyacetic acid
CID 79852423
1-(2,2-dimethylcyclopentyl)-3-methylbut-3-en-1-ol
CID 107192586
2-(2,6-dichlorophenyl)-1-(2,2-dimethylcyclohexyl)ethanol
CID 107192076
2-(4-tert-butylphenyl)-1-(2,2-dimethylcyclohexyl)ethanol
CID 107192147
1-(2,2-dimethylcyclopentyl)ethanol
CID 79863633
1-(2,2-dimethylcyclohexyl)-2-(5-ethyl-2-pyridinyl)ethanol
CID 107192689
1-(2,2-dimethylcyclohexyl)-3-methylhexan-1-amine
CID 107188380
1-(2,2-dimethylcyclohexyl)-3-methylidenepentan-1-amine
CID 107189793
(2,2-dimethylcyclohexyl)-(oxan-4-yl)methanol
CID 107192269

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylcyclohexyl)-3-ethylpentan-1-ol?
The IUPAC name of 1-(2,2-dimethylcyclohexyl)-3-ethylpentan-1-ol (CID 107192806) is 1-(2,2-dimethylcyclohexyl)-3-ethylpentan-1-ol.
What is the SMILES notation for 1-(2,2-dimethylcyclohexyl)-3-ethylpentan-1-ol?
The canonical SMILES for 1-(2,2-dimethylcyclohexyl)-3-ethylpentan-1-ol is CCC(CC)CC(O)C1CCCCC1(C)C.
What is the InChIKey of 1-(2,2-dimethylcyclohexyl)-3-ethylpentan-1-ol?
The InChIKey is BGTWOBGQWYNPBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O/c1-5-12(6-2)11-14(16)13-9-7-8-10-15(13,3)4/h12-14,16H,5-11H2,1-4H3.
What are the key properties of 1-(2,2-dimethylcyclohexyl)-3-ethylpentan-1-ol?
1-(2,2-dimethylcyclohexyl)-3-ethylpentan-1-ol has a molecular weight of 226.40 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylcyclohexyl)-3-ethylpentan-1-ol is sourced from PubChem (CID 107192806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).