2-(3,7-dimethyloctan-3-yloxy)-4-methyl-1-propan-2-ylcyclohexane

C20H40O — CID 134880950

IUPAC2-(3,7-dimethyloctan-3-yloxy)-4-methyl-1-propan-2-ylcyclohexane
SMILESCCC(C)(CCCC(C)C)OC1CC(C)CCC1C(C)C
InChIInChI=1S/C20H40O/c1-8-20(7,13-9-10-15(2)3)21-19-14-17(6)11-12-18(19)16(4)5/h15-19H,8-14H2,1-7H3
InChIKeyDNCAOIGXZYQONW-UHFFFAOYSA-N
MW296.54 g/mol
LogP6.46
Rot. Bonds8

About 2-(3,7-dimethyloctan-3-yloxy)-4-methyl-1-propan-2-ylcyclohexane

2-(3,7-dimethyloctan-3-yloxy)-4-methyl-1-propan-2-ylcyclohexane (PubChem CID 134880950) has the molecular formula C20H40O and a molecular weight of 296.54 g/mol. Its IUPAC name is 2-(3,7-dimethyloctan-3-yloxy)-4-methyl-1-propan-2-ylcyclohexane.

Molecular Properties

Compound Name2-(3,7-dimethyloctan-3-yloxy)-4-methyl-1-propan-2-ylcyclohexane
PubChem CID134880950
Molecular FormulaC20H40O
Molecular Weight296.54 g/mol
Exact Mass296.31
IUPAC Name2-(3,7-dimethyloctan-3-yloxy)-4-methyl-1-propan-2-ylcyclohexane
SMILESCCC(C)(CCCC(C)C)OC1CC(C)CCC1C(C)C
InChIInChI=1S/C20H40O/c1-8-20(7,13-9-10-15(2)3)21-19-14-17(6)11-12-18(19)16(4)5/h15-19H,8-14H2,1-7H3
InChIKeyDNCAOIGXZYQONW-UHFFFAOYSA-N
XLogP6.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.54
LogP ≤ 56.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3,7-dimethyloctan-3-yloxy)-4-methyl-1-propan-2-ylcyclohexane?
The IUPAC name of 2-(3,7-dimethyloctan-3-yloxy)-4-methyl-1-propan-2-ylcyclohexane (CID 134880950) is 2-(3,7-dimethyloctan-3-yloxy)-4-methyl-1-propan-2-ylcyclohexane.
What is the SMILES notation for 2-(3,7-dimethyloctan-3-yloxy)-4-methyl-1-propan-2-ylcyclohexane?
The canonical SMILES for 2-(3,7-dimethyloctan-3-yloxy)-4-methyl-1-propan-2-ylcyclohexane is CCC(C)(CCCC(C)C)OC1CC(C)CCC1C(C)C.
What is the InChIKey of 2-(3,7-dimethyloctan-3-yloxy)-4-methyl-1-propan-2-ylcyclohexane?
The InChIKey is DNCAOIGXZYQONW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40O/c1-8-20(7,13-9-10-15(2)3)21-19-14-17(6)11-12-18(19)16(4)5/h15-19H,8-14H2,1-7H3.
What are the key properties of 2-(3,7-dimethyloctan-3-yloxy)-4-methyl-1-propan-2-ylcyclohexane?
2-(3,7-dimethyloctan-3-yloxy)-4-methyl-1-propan-2-ylcyclohexane has a molecular weight of 296.54 g/mol, XLogP of 6.46, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,7-dimethyloctan-3-yloxy)-4-methyl-1-propan-2-ylcyclohexane is sourced from PubChem (CID 134880950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).