4-(8-methoxyoctyl)-1,2-dimethylcyclohexane

C17H34O — CID 143227384

IUPAC4-(8-methoxyoctyl)-1,2-dimethylcyclohexane
SMILESCOCCCCCCCCC1CCC(C)C(C)C1
InChIInChI=1S/C17H34O/c1-15-11-12-17(14-16(15)2)10-8-6-4-5-7-9-13-18-3/h15-17H,4-14H2,1-3H3
InChIKeySWOGYVITRPWGBP-UHFFFAOYSA-N
MW254.46 g/mol
LogP5.44
Rot. Bonds9

About 4-(8-methoxyoctyl)-1,2-dimethylcyclohexane

4-(8-methoxyoctyl)-1,2-dimethylcyclohexane (PubChem CID 143227384) has the molecular formula C17H34O and a molecular weight of 254.46 g/mol. Its IUPAC name is 4-(8-methoxyoctyl)-1,2-dimethylcyclohexane.

Molecular Properties

Compound Name4-(8-methoxyoctyl)-1,2-dimethylcyclohexane
PubChem CID143227384
Molecular FormulaC17H34O
Molecular Weight254.46 g/mol
Exact Mass254.26
IUPAC Name4-(8-methoxyoctyl)-1,2-dimethylcyclohexane
SMILESCOCCCCCCCCC1CCC(C)C(C)C1
InChIInChI=1S/C17H34O/c1-15-11-12-17(14-16(15)2)10-8-6-4-5-7-9-13-18-3/h15-17H,4-14H2,1-3H3
InChIKeySWOGYVITRPWGBP-UHFFFAOYSA-N
XLogP5.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.46
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-(3,4-dimethylcyclohexyl)pentan-1-ol
CID 126691015
4-[9-(3,4-dimethylcyclohexyl)nonyl]cyclohexane-1-carbaldehyde
CID 88959924
4-[10-(3,4-dimethylcyclohexyl)decyl]cyclohexane-1-carbaldehyde
CID 88959947
4-(3-methoxypropyl)cyclohexan-1-amine;hydrochloride
CID 146675825
5-(3-methoxypropyl)-2-methylpiperidine
CID 106781710
4-[8,8-bis[9-(3,4-dimethylcyclohexyl)nonyl]-17-(3-ethyl-4-methylcyclohexyl)heptadecyl]-1,2-dimethylcycloheptane
CID 144902298
4-but-3-enyl-1,2-dimethylcyclohexane
CID 59938338
1-bromo-4-ethyl-2-(4-methoxybutyl)cyclohexane
CID 104649056
(3,4-dimethylcyclohexyl)methanol
CID 22708626
[(1R,3S)-3,4-dimethylcyclohexyl]methanol
CID 118389064
1-methoxy-6-(6-methoxyhexoxy)hexane
CID 154493017
4-(3-bromobutyl)-1,2-dimethylcyclohexane
CID 64738699

Frequently Asked Questions

What is the IUPAC name of 4-(8-methoxyoctyl)-1,2-dimethylcyclohexane?
The IUPAC name of 4-(8-methoxyoctyl)-1,2-dimethylcyclohexane (CID 143227384) is 4-(8-methoxyoctyl)-1,2-dimethylcyclohexane.
What is the SMILES notation for 4-(8-methoxyoctyl)-1,2-dimethylcyclohexane?
The canonical SMILES for 4-(8-methoxyoctyl)-1,2-dimethylcyclohexane is COCCCCCCCCC1CCC(C)C(C)C1.
What is the InChIKey of 4-(8-methoxyoctyl)-1,2-dimethylcyclohexane?
The InChIKey is SWOGYVITRPWGBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O/c1-15-11-12-17(14-16(15)2)10-8-6-4-5-7-9-13-18-3/h15-17H,4-14H2,1-3H3.
What are the key properties of 4-(8-methoxyoctyl)-1,2-dimethylcyclohexane?
4-(8-methoxyoctyl)-1,2-dimethylcyclohexane has a molecular weight of 254.46 g/mol, XLogP of 5.44, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(8-methoxyoctyl)-1,2-dimethylcyclohexane is sourced from PubChem (CID 143227384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).