1-[1-(1,2-dimethylcyclohexyl)propyl]-1,3-dimethylcyclohexane

C19H36 — CID 175121766

IUPAC1-[1-(1,2-dimethylcyclohexyl)propyl]-1,3-dimethylcyclohexane
SMILESCCC(C1(C)CCCC(C)C1)C1(C)CCCCC1C
InChIInChI=1S/C19H36/c1-6-17(18(4)12-9-10-15(2)14-18)19(5)13-8-7-11-16(19)3/h15-17H,6-14H2,1-5H3
InChIKeyCZXIPZVGWOXOAU-UHFFFAOYSA-N
MW264.50 g/mol
LogP6.45
Rot. Bonds3

About 1-[1-(1,2-dimethylcyclohexyl)propyl]-1,3-dimethylcyclohexane

1-[1-(1,2-dimethylcyclohexyl)propyl]-1,3-dimethylcyclohexane (PubChem CID 175121766) has the molecular formula C19H36 and a molecular weight of 264.50 g/mol. Its IUPAC name is 1-[1-(1,2-dimethylcyclohexyl)propyl]-1,3-dimethylcyclohexane.

Molecular Properties

Compound Name1-[1-(1,2-dimethylcyclohexyl)propyl]-1,3-dimethylcyclohexane
PubChem CID175121766
Molecular FormulaC19H36
Molecular Weight264.50 g/mol
Exact Mass264.28
IUPAC Name1-[1-(1,2-dimethylcyclohexyl)propyl]-1,3-dimethylcyclohexane
SMILESCCC(C1(C)CCCC(C)C1)C1(C)CCCCC1C
InChIInChI=1S/C19H36/c1-6-17(18(4)12-9-10-15(2)14-18)19(5)13-8-7-11-16(19)3/h15-17H,6-14H2,1-5H3
InChIKeyCZXIPZVGWOXOAU-UHFFFAOYSA-N
XLogP6.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.50
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(1,2-dimethylcyclohexyl)propyl]-1,3-dimethylcyclohexane?
The IUPAC name of 1-[1-(1,2-dimethylcyclohexyl)propyl]-1,3-dimethylcyclohexane (CID 175121766) is 1-[1-(1,2-dimethylcyclohexyl)propyl]-1,3-dimethylcyclohexane.
What is the SMILES notation for 1-[1-(1,2-dimethylcyclohexyl)propyl]-1,3-dimethylcyclohexane?
The canonical SMILES for 1-[1-(1,2-dimethylcyclohexyl)propyl]-1,3-dimethylcyclohexane is CCC(C1(C)CCCC(C)C1)C1(C)CCCCC1C.
What is the InChIKey of 1-[1-(1,2-dimethylcyclohexyl)propyl]-1,3-dimethylcyclohexane?
The InChIKey is CZXIPZVGWOXOAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36/c1-6-17(18(4)12-9-10-15(2)14-18)19(5)13-8-7-11-16(19)3/h15-17H,6-14H2,1-5H3.
What are the key properties of 1-[1-(1,2-dimethylcyclohexyl)propyl]-1,3-dimethylcyclohexane?
1-[1-(1,2-dimethylcyclohexyl)propyl]-1,3-dimethylcyclohexane has a molecular weight of 264.50 g/mol, XLogP of 6.45, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1,2-dimethylcyclohexyl)propyl]-1,3-dimethylcyclohexane is sourced from PubChem (CID 175121766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).