1-methyl-4-propan-2-ylcyclohexan-1-ol;octan-1-ol

C18H38O2 — CID 156700086

IUPAC1-methyl-4-propan-2-ylcyclohexan-1-ol;octan-1-ol
SMILESCC(C)C1CCC(C)(O)CC1.CCCCCCCCO
InChIInChI=1S/C10H20O.C8H18O/c1-8(2)9-4-6-10(3,11)7-5-9;1-2-3-4-5-6-7-8-9/h8-9,11H,4-7H2,1-3H3;9H,2-8H2,1H3
InChIKeyKALONJKTNDWUIW-UHFFFAOYSA-N
MW286.50 g/mol
LogP4.92
Rot. Bonds7

About 1-methyl-4-propan-2-ylcyclohexan-1-ol;octan-1-ol

1-methyl-4-propan-2-ylcyclohexan-1-ol;octan-1-ol (PubChem CID 156700086) has the molecular formula C18H38O2 and a molecular weight of 286.50 g/mol. Its IUPAC name is 1-methyl-4-propan-2-ylcyclohexan-1-ol;octan-1-ol.

Molecular Properties

Compound Name1-methyl-4-propan-2-ylcyclohexan-1-ol;octan-1-ol
PubChem CID156700086
Molecular FormulaC18H38O2
Molecular Weight286.50 g/mol
Exact Mass286.29
IUPAC Name1-methyl-4-propan-2-ylcyclohexan-1-ol;octan-1-ol
SMILESCC(C)C1CCC(C)(O)CC1.CCCCCCCCO
InChIInChI=1S/C10H20O.C8H18O/c1-8(2)9-4-6-10(3,11)7-5-9;1-2-3-4-5-6-7-8-9/h8-9,11H,4-7H2,1-3H3;9H,2-8H2,1H3
InChIKeyKALONJKTNDWUIW-UHFFFAOYSA-N
XLogP4.92
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.50
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-methyl-4-propan-2-ylcyclohexan-1-ol;hydrate
CID 141162449
hexan-1-ol;2-methylpropane
CID 159802705
heptan-1-ol;nonan-1-ol
CID 160785033
nickel;pentan-1-ol
CID 157287705
decane;decan-1-ol
CID 22418527
dohexacontan-1-ol
CID 22501426
dodecan-1-ol;tetradecan-1-ol
CID 21281432
heptatriacontan-1-ol
CID 537071
decane-1,10-diol;heptan-1-ol;nonan-1-ol;pentan-1-ol;tridecan-1-ol
CID 159582596
nonadecakis(heptane);nonan-1-ol
CID 173279398
undecan-1-ol
CID 122455065
hexan-1-ol;nonan-1-ol
CID 159104620

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-propan-2-ylcyclohexan-1-ol;octan-1-ol?
The IUPAC name of 1-methyl-4-propan-2-ylcyclohexan-1-ol;octan-1-ol (CID 156700086) is 1-methyl-4-propan-2-ylcyclohexan-1-ol;octan-1-ol.
What is the SMILES notation for 1-methyl-4-propan-2-ylcyclohexan-1-ol;octan-1-ol?
The canonical SMILES for 1-methyl-4-propan-2-ylcyclohexan-1-ol;octan-1-ol is CC(C)C1CCC(C)(O)CC1.CCCCCCCCO.
What is the InChIKey of 1-methyl-4-propan-2-ylcyclohexan-1-ol;octan-1-ol?
The InChIKey is KALONJKTNDWUIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O.C8H18O/c1-8(2)9-4-6-10(3,11)7-5-9;1-2-3-4-5-6-7-8-9/h8-9,11H,4-7H2,1-3H3;9H,2-8H2,1H3.
What are the key properties of 1-methyl-4-propan-2-ylcyclohexan-1-ol;octan-1-ol?
1-methyl-4-propan-2-ylcyclohexan-1-ol;octan-1-ol has a molecular weight of 286.50 g/mol, XLogP of 4.92, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-propan-2-ylcyclohexan-1-ol;octan-1-ol is sourced from PubChem (CID 156700086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).