3,4-dibutylcyclohexan-1-ol

C14H28O — CID 71347162

IUPAC3,4-dibutylcyclohexan-1-ol
SMILESCCCCC1CCC(O)CC1CCCC
InChIInChI=1S/C14H28O/c1-3-5-7-12-9-10-14(15)11-13(12)8-6-4-2/h12-15H,3-11H2,1-2H3
InChIKeyFERGJWFUAZRPMZ-UHFFFAOYSA-N
MW212.38 g/mol
LogP4.14
Rot. Bonds6

About 3,4-dibutylcyclohexan-1-ol

3,4-dibutylcyclohexan-1-ol (PubChem CID 71347162) has the molecular formula C14H28O and a molecular weight of 212.38 g/mol. Its IUPAC name is 3,4-dibutylcyclohexan-1-ol.

Molecular Properties

Compound Name3,4-dibutylcyclohexan-1-ol
PubChem CID71347162
Molecular FormulaC14H28O
Molecular Weight212.38 g/mol
Exact Mass212.21
IUPAC Name3,4-dibutylcyclohexan-1-ol
SMILESCCCCC1CCC(O)CC1CCCC
InChIInChI=1S/C14H28O/c1-3-5-7-12-9-10-14(15)11-13(12)8-6-4-2/h12-15H,3-11H2,1-2H3
InChIKeyFERGJWFUAZRPMZ-UHFFFAOYSA-N
XLogP4.14
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
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

(3R)-4-hexylcyclohexane-1,3-diol
CID 90224141
cis-(1R,2R)-2-butylcyclopropan-1-ol
CID 14453673
cis-(1S,2S)-2-butylcyclopropan-1-ol
CID 14453674
4-butyl-2,3-dimethylcyclohexan-1-ol
CID 58534220
2-propylcyclohexane-1,4-diol
CID 89257932
2-butyl-4-ethyl-1-propylcyclohexane
CID 123402768
1-butyl-2-[8-(2-butylcyclopropyl)octyl]cyclopropane
CID 23590146
trans-(1S,2S)-1-butyl-2-pentylcyclopropane
CID 91692463
(2-butylcyclopropyl)methanamine
CID 90757424
cis-(1R,2S)-1-butyl-2-ethylcyclopropane
CID 6427612
3-tridecylcyclopentan-1-ol
CID 67606099
trans-(1R,2R)-1-butyl-2-propylcyclopentane
CID 14574886

Frequently Asked Questions

What is the IUPAC name of 3,4-dibutylcyclohexan-1-ol?
The IUPAC name of 3,4-dibutylcyclohexan-1-ol (CID 71347162) is 3,4-dibutylcyclohexan-1-ol.
What is the SMILES notation for 3,4-dibutylcyclohexan-1-ol?
The canonical SMILES for 3,4-dibutylcyclohexan-1-ol is CCCCC1CCC(O)CC1CCCC.
What is the InChIKey of 3,4-dibutylcyclohexan-1-ol?
The InChIKey is FERGJWFUAZRPMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O/c1-3-5-7-12-9-10-14(15)11-13(12)8-6-4-2/h12-15H,3-11H2,1-2H3.
What are the key properties of 3,4-dibutylcyclohexan-1-ol?
3,4-dibutylcyclohexan-1-ol has a molecular weight of 212.38 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dibutylcyclohexan-1-ol is sourced from PubChem (CID 71347162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).