2-[1-(5,6-dimethyloctan-2-yloxy)ethoxy]ethylcyclohexane

C20H40O2 — CID 59645062

IUPAC2-[1-(5,6-dimethyloctan-2-yloxy)ethoxy]ethylcyclohexane
SMILESCCC(C)C(C)CCC(C)OC(C)OCCC1CCCCC1
InChIInChI=1S/C20H40O2/c1-6-16(2)17(3)12-13-18(4)22-19(5)21-15-14-20-10-8-7-9-11-20/h16-20H,6-15H2,1-5H3
InChIKeyWUFNNOPSQJKAIA-UHFFFAOYSA-N
MW312.54 g/mol
LogP6.19
Rot. Bonds11

About 2-[1-(5,6-dimethyloctan-2-yloxy)ethoxy]ethylcyclohexane

2-[1-(5,6-dimethyloctan-2-yloxy)ethoxy]ethylcyclohexane (PubChem CID 59645062) has the molecular formula C20H40O2 and a molecular weight of 312.54 g/mol. Its IUPAC name is 2-[1-(5,6-dimethyloctan-2-yloxy)ethoxy]ethylcyclohexane.

Molecular Properties

Compound Name2-[1-(5,6-dimethyloctan-2-yloxy)ethoxy]ethylcyclohexane
PubChem CID59645062
Molecular FormulaC20H40O2
Molecular Weight312.54 g/mol
Exact Mass312.30
IUPAC Name2-[1-(5,6-dimethyloctan-2-yloxy)ethoxy]ethylcyclohexane
SMILESCCC(C)C(C)CCC(C)OC(C)OCCC1CCCCC1
InChIInChI=1S/C20H40O2/c1-6-16(2)17(3)12-13-18(4)22-19(5)21-15-14-20-10-8-7-9-11-20/h16-20H,6-15H2,1-5H3
InChIKeyWUFNNOPSQJKAIA-UHFFFAOYSA-N
XLogP6.19
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.54
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-propan-2-yloxyethylcycloheptane
CID 123201160
1-[(2R)-butan-2-yl]-4-[1-(2-cyclohexylethoxy)ethoxy]benzene
CID 89233855
4-(2-cyclohexylethoxy)hexan-3-ol
CID 143882427
1-cyclopentyl-4-methylhexan-3-ol
CID 115823411
4-(1-methoxyethoxy)butylcyclohexane
CID 21363364
1-[1-(2-cyclohexylethoxy)ethoxy]-4-(2-methylhexan-3-yl)benzene
CID 123909741
2-(2-cyclobutylethoxy)-N-methylpropan-1-amine
CID 106201858
4-(2-butan-2-yloxyethyl)piperidine
CID 60902877
2-(2-cyclobutylethoxy)-N-propan-2-ylpropan-1-amine
CID 106206091
2-(2-cyclohexylethoxy)propoxybenzene
CID 71174964
2-(2-cyclobutylethoxy)-N-propylpropan-1-amine
CID 106206061
1-[1-(2-cyclohexylethoxy)ethoxy]-4-(3,3-dimethylbutan-2-yl)benzene
CID 123347568

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5,6-dimethyloctan-2-yloxy)ethoxy]ethylcyclohexane?
The IUPAC name of 2-[1-(5,6-dimethyloctan-2-yloxy)ethoxy]ethylcyclohexane (CID 59645062) is 2-[1-(5,6-dimethyloctan-2-yloxy)ethoxy]ethylcyclohexane.
What is the SMILES notation for 2-[1-(5,6-dimethyloctan-2-yloxy)ethoxy]ethylcyclohexane?
The canonical SMILES for 2-[1-(5,6-dimethyloctan-2-yloxy)ethoxy]ethylcyclohexane is CCC(C)C(C)CCC(C)OC(C)OCCC1CCCCC1.
What is the InChIKey of 2-[1-(5,6-dimethyloctan-2-yloxy)ethoxy]ethylcyclohexane?
The InChIKey is WUFNNOPSQJKAIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40O2/c1-6-16(2)17(3)12-13-18(4)22-19(5)21-15-14-20-10-8-7-9-11-20/h16-20H,6-15H2,1-5H3.
What are the key properties of 2-[1-(5,6-dimethyloctan-2-yloxy)ethoxy]ethylcyclohexane?
2-[1-(5,6-dimethyloctan-2-yloxy)ethoxy]ethylcyclohexane has a molecular weight of 312.54 g/mol, XLogP of 6.19, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5,6-dimethyloctan-2-yloxy)ethoxy]ethylcyclohexane is sourced from PubChem (CID 59645062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).