2-(1-hydroxybutyl)-4-propan-2-ylcyclohexan-1-ol

C13H26O2 — CID 23443060

IUPAC2-(1-hydroxybutyl)-4-propan-2-ylcyclohexan-1-ol
SMILESCCCC(O)C1CC(C(C)C)CCC1O
InChIInChI=1S/C13H26O2/c1-4-5-12(14)11-8-10(9(2)3)6-7-13(11)15/h9-15H,4-8H2,1-3H3
InChIKeyKTQHCWDSEQTJKA-UHFFFAOYSA-N
MW214.35 g/mol
LogP2.58
Rot. Bonds4

About 2-(1-hydroxybutyl)-4-propan-2-ylcyclohexan-1-ol

2-(1-hydroxybutyl)-4-propan-2-ylcyclohexan-1-ol (PubChem CID 23443060) has the molecular formula C13H26O2 and a molecular weight of 214.35 g/mol. Its IUPAC name is 2-(1-hydroxybutyl)-4-propan-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name2-(1-hydroxybutyl)-4-propan-2-ylcyclohexan-1-ol
PubChem CID23443060
Molecular FormulaC13H26O2
Molecular Weight214.35 g/mol
Exact Mass214.19
IUPAC Name2-(1-hydroxybutyl)-4-propan-2-ylcyclohexan-1-ol
SMILESCCCC(O)C1CC(C(C)C)CCC1O
InChIInChI=1S/C13H26O2/c1-4-5-12(14)11-8-10(9(2)3)6-7-13(11)15/h9-15H,4-8H2,1-3H3
InChIKeyKTQHCWDSEQTJKA-UHFFFAOYSA-N
XLogP2.58
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-butan-2-yl-4-propan-2-ylcyclohexan-1-ol
CID 79423802
1-(4-propan-2-ylcycloheptyl)butan-1-ol
CID 83050929
1-(2-methyl-5-propan-2-ylcyclohexyl)propane-1,3-diol
CID 175514226
2-ethyl-4-propan-2-ylcyclohexan-1-ol
CID 58534339
2-(2-hydroxypropyl)-4-propan-2-ylcyclohexan-1-ol
CID 79423024
(1S,2S,4R)-4-methyl-2-propan-2-ylcyclohexan-1-ol
CID 15605903
(1S)-1-(2-methylcyclopentyl)butan-1-ol
CID 127004316
2-octan-2-yloxy-4-propan-2-ylcyclohexan-1-ol
CID 55192847
2-pentan-2-yl-4-propylcyclohexan-1-ol
CID 107885956
1-(7-oxabicyclo[4.1.0]heptan-2-yl)butan-1-ol
CID 174799868
4-propan-2-yl-2-(2-propoxyethyl)cyclohexan-1-ol
CID 106455962
2-(4-methylpentyl)-4-propan-2-ylcyclohexan-1-ol
CID 83161089

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxybutyl)-4-propan-2-ylcyclohexan-1-ol?
The IUPAC name of 2-(1-hydroxybutyl)-4-propan-2-ylcyclohexan-1-ol (CID 23443060) is 2-(1-hydroxybutyl)-4-propan-2-ylcyclohexan-1-ol.
What is the SMILES notation for 2-(1-hydroxybutyl)-4-propan-2-ylcyclohexan-1-ol?
The canonical SMILES for 2-(1-hydroxybutyl)-4-propan-2-ylcyclohexan-1-ol is CCCC(O)C1CC(C(C)C)CCC1O.
What is the InChIKey of 2-(1-hydroxybutyl)-4-propan-2-ylcyclohexan-1-ol?
The InChIKey is KTQHCWDSEQTJKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O2/c1-4-5-12(14)11-8-10(9(2)3)6-7-13(11)15/h9-15H,4-8H2,1-3H3.
What are the key properties of 2-(1-hydroxybutyl)-4-propan-2-ylcyclohexan-1-ol?
2-(1-hydroxybutyl)-4-propan-2-ylcyclohexan-1-ol has a molecular weight of 214.35 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxybutyl)-4-propan-2-ylcyclohexan-1-ol is sourced from PubChem (CID 23443060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).