4-propan-2-ylcyclohexan-1-ol

C27H54O3 — CID 159817143

IUPAC4-propan-2-ylcyclohexan-1-ol
SMILESCC(C)C1CCC(O)CC1.CC(C)C1CCC(O)CC1.CC(C)C1CCC(O)CC1
InChIInChI=1S/3C9H18O/c3*1-7(2)8-3-5-9(10)6-4-8/h3*7-10H,3-6H2,1-2H3
InChIKeyNLTHFUYBGRNYMT-UHFFFAOYSA-N
MW426.73 g/mol
LogP6.58
Rot. Bonds3

About 4-propan-2-ylcyclohexan-1-ol

4-propan-2-ylcyclohexan-1-ol (PubChem CID 159817143) has the molecular formula C27H54O3 and a molecular weight of 426.73 g/mol. Its IUPAC name is 4-propan-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name4-propan-2-ylcyclohexan-1-ol
PubChem CID159817143
Molecular FormulaC27H54O3
Molecular Weight426.73 g/mol
Exact Mass426.41
IUPAC Name4-propan-2-ylcyclohexan-1-ol
SMILESCC(C)C1CCC(O)CC1.CC(C)C1CCC(O)CC1.CC(C)C1CCC(O)CC1
InChIInChI=1S/3C9H18O/c3*1-7(2)8-3-5-9(10)6-4-8/h3*7-10H,3-6H2,1-2H3
InChIKeyNLTHFUYBGRNYMT-UHFFFAOYSA-N
XLogP6.58
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.73
LogP ≤ 56.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

propan-2-ylcyclopropane;hydroiodide
CID 162314014
1-tert-butylcyclohexan-1-ol;4-propan-2-ylcyclohexan-1-ol
CID 70304454
cyclohexane-1,4-diol
CID 11162
2-(4-hydroxycyclohexyl)propanamide
CID 90285777
4-[(4-hydroxycyclohexyl)-(4-methylcyclohexyl)methyl]cyclohexan-1-ol
CID 140668648
4-(diiodomethyl)cyclohexan-1-ol
CID 89029318
cyclohexane-1,4-diol;2-methylbutane
CID 145319923
3-(4-hydroxycyclohexyl)-4-methylpentan-2-one
CID 143544217
1-methyl-3-propan-2-ylcyclopentane;3-propan-2-ylcyclobutan-1-ol
CID 158535526
4-(1-ethenoxyethyl)cyclohexan-1-ol
CID 68532112
4-[1-cyclopropylethyl(methyl)amino]cyclohexan-1-ol
CID 114762400
4-propan-2-ylcyclopentane-1,2-diol
CID 20608687

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-ylcyclohexan-1-ol?
The IUPAC name of 4-propan-2-ylcyclohexan-1-ol (CID 159817143) is 4-propan-2-ylcyclohexan-1-ol.
What is the SMILES notation for 4-propan-2-ylcyclohexan-1-ol?
The canonical SMILES for 4-propan-2-ylcyclohexan-1-ol is CC(C)C1CCC(O)CC1.CC(C)C1CCC(O)CC1.CC(C)C1CCC(O)CC1.
What is the InChIKey of 4-propan-2-ylcyclohexan-1-ol?
The InChIKey is NLTHFUYBGRNYMT-UHFFFAOYSA-N. The full InChI is InChI=1S/3C9H18O/c3*1-7(2)8-3-5-9(10)6-4-8/h3*7-10H,3-6H2,1-2H3.
What are the key properties of 4-propan-2-ylcyclohexan-1-ol?
4-propan-2-ylcyclohexan-1-ol has a molecular weight of 426.73 g/mol, XLogP of 6.58, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-ylcyclohexan-1-ol is sourced from PubChem (CID 159817143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).