4-(2-ethyl-3,3-dimethylbutyl)cyclohexan-1-ol

C14H28O — CID 22486950

IUPAC4-(2-ethyl-3,3-dimethylbutyl)cyclohexan-1-ol
SMILESCCC(CC1CCC(O)CC1)C(C)(C)C
InChIInChI=1S/C14H28O/c1-5-12(14(2,3)4)10-11-6-8-13(15)9-7-11/h11-13,15H,5-10H2,1-4H3
InChIKeyRNRNDFKIXMGGAH-UHFFFAOYSA-N
MW212.38 g/mol
LogP4.00
Rot. Bonds3

About 4-(2-ethyl-3,3-dimethylbutyl)cyclohexan-1-ol

4-(2-ethyl-3,3-dimethylbutyl)cyclohexan-1-ol (PubChem CID 22486950) has the molecular formula C14H28O and a molecular weight of 212.38 g/mol. Its IUPAC name is 4-(2-ethyl-3,3-dimethylbutyl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-(2-ethyl-3,3-dimethylbutyl)cyclohexan-1-ol
PubChem CID22486950
Molecular FormulaC14H28O
Molecular Weight212.38 g/mol
Exact Mass212.21
IUPAC Name4-(2-ethyl-3,3-dimethylbutyl)cyclohexan-1-ol
SMILESCCC(CC1CCC(O)CC1)C(C)(C)C
InChIInChI=1S/C14H28O/c1-5-12(14(2,3)4)10-11-6-8-13(15)9-7-11/h11-13,15H,5-10H2,1-4H3
InChIKeyRNRNDFKIXMGGAH-UHFFFAOYSA-N
XLogP4.00
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(4-hydroxycyclohexyl)methyl]butanoic acid
CID 142704422
4-(2-cyclohexylbutyl)cyclohexan-1-ol
CID 143270572
cyclohexane-1,4-diol;2-methylbutane
CID 145319923
4-[2,2-bis(4-hydroxycyclohexyl)ethyl]cyclohexan-1-ol
CID 138556605
4-(3-amino-2-methylpropyl)cyclohexan-1-ol
CID 174312157
4-(2,2-dimethylheptan-3-yl)cyclohexan-1-ol
CID 149361813
[2-(2-cyclopropylethyl)-3,3-dimethylpentyl]cyclopropane
CID 173203928
2-(cyclohexylmethyl)-3,3-dimethylbutan-1-amine
CID 83138887
(2S)-3-(4-hydroxycyclohexyl)-2-methylpropanoic acid
CID 99962556
4-(1-aminopropyl)cyclohexan-1-ol
CID 116941798
4-ethylcyclohexan-1-ol;formic acid
CID 175472240
4-(3-hydroxyhexyl)cyclohexan-1-ol
CID 71198089

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethyl-3,3-dimethylbutyl)cyclohexan-1-ol?
The IUPAC name of 4-(2-ethyl-3,3-dimethylbutyl)cyclohexan-1-ol (CID 22486950) is 4-(2-ethyl-3,3-dimethylbutyl)cyclohexan-1-ol.
What is the SMILES notation for 4-(2-ethyl-3,3-dimethylbutyl)cyclohexan-1-ol?
The canonical SMILES for 4-(2-ethyl-3,3-dimethylbutyl)cyclohexan-1-ol is CCC(CC1CCC(O)CC1)C(C)(C)C.
What is the InChIKey of 4-(2-ethyl-3,3-dimethylbutyl)cyclohexan-1-ol?
The InChIKey is RNRNDFKIXMGGAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O/c1-5-12(14(2,3)4)10-11-6-8-13(15)9-7-11/h11-13,15H,5-10H2,1-4H3.
What are the key properties of 4-(2-ethyl-3,3-dimethylbutyl)cyclohexan-1-ol?
4-(2-ethyl-3,3-dimethylbutyl)cyclohexan-1-ol has a molecular weight of 212.38 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethyl-3,3-dimethylbutyl)cyclohexan-1-ol is sourced from PubChem (CID 22486950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).