1-(1,2,2-trimethylcyclohexyl)octan-3-ol

C17H34O — CID 70289367

IUPAC1-(1,2,2-trimethylcyclohexyl)octan-3-ol
SMILESCCCCCC(O)CCC1(C)CCCCC1(C)C
InChIInChI=1S/C17H34O/c1-5-6-7-10-15(18)11-14-17(4)13-9-8-12-16(17,2)3/h15,18H,5-14H2,1-4H3
InChIKeyNSKOOOVEBDBVSH-UHFFFAOYSA-N
MW254.46 g/mol
LogP5.31
Rot. Bonds7

About 1-(1,2,2-trimethylcyclohexyl)octan-3-ol

1-(1,2,2-trimethylcyclohexyl)octan-3-ol (PubChem CID 70289367) has the molecular formula C17H34O and a molecular weight of 254.46 g/mol. Its IUPAC name is 1-(1,2,2-trimethylcyclohexyl)octan-3-ol.

Molecular Properties

Compound Name1-(1,2,2-trimethylcyclohexyl)octan-3-ol
PubChem CID70289367
Molecular FormulaC17H34O
Molecular Weight254.46 g/mol
Exact Mass254.26
IUPAC Name1-(1,2,2-trimethylcyclohexyl)octan-3-ol
SMILESCCCCCC(O)CCC1(C)CCCCC1(C)C
InChIInChI=1S/C17H34O/c1-5-6-7-10-15(18)11-14-17(4)13-9-8-12-16(17,2)3/h15,18H,5-14H2,1-4H3
InChIKeyNSKOOOVEBDBVSH-UHFFFAOYSA-N
XLogP5.31
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.46
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1R)-1-butyl-1,2,2-trimethylcyclohexane
CID 160652291
1-decyl-1,2,2-trimethylcyclooctane
CID 150686045
(7R)-hexatriacontan-7-ol
CID 88529159
nonacosane-7,20-diol
CID 174949468
tetracosan-6-ol
CID 154265400
icosan-9-ol
CID 11983377
icosan-6-ol
CID 19931277
hexatriacontan-17-ol
CID 3020851
octacosan-10-ol
CID 22568705
tetratetracontan-22-ol
CID 91434437
tritetracontan-5-ol
CID 162898528
icosane-5,11-diol
CID 170722582

Frequently Asked Questions

What is the IUPAC name of 1-(1,2,2-trimethylcyclohexyl)octan-3-ol?
The IUPAC name of 1-(1,2,2-trimethylcyclohexyl)octan-3-ol (CID 70289367) is 1-(1,2,2-trimethylcyclohexyl)octan-3-ol.
What is the SMILES notation for 1-(1,2,2-trimethylcyclohexyl)octan-3-ol?
The canonical SMILES for 1-(1,2,2-trimethylcyclohexyl)octan-3-ol is CCCCCC(O)CCC1(C)CCCCC1(C)C.
What is the InChIKey of 1-(1,2,2-trimethylcyclohexyl)octan-3-ol?
The InChIKey is NSKOOOVEBDBVSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O/c1-5-6-7-10-15(18)11-14-17(4)13-9-8-12-16(17,2)3/h15,18H,5-14H2,1-4H3.
What are the key properties of 1-(1,2,2-trimethylcyclohexyl)octan-3-ol?
1-(1,2,2-trimethylcyclohexyl)octan-3-ol has a molecular weight of 254.46 g/mol, XLogP of 5.31, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,2-trimethylcyclohexyl)octan-3-ol is sourced from PubChem (CID 70289367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).