4-methyl-2-(5-methyl-2-propan-2-ylcyclohexyl)-1-propan-2-ylcyclohexane

C20H38 — CID 557970

IUPAC4-methyl-2-(5-methyl-2-propan-2-ylcyclohexyl)-1-propan-2-ylcyclohexane
SMILESCC1CCC(C(C)C)C(C2CC(C)CCC2C(C)C)C1
InChIInChI=1S/C20H38/c1-13(2)17-9-7-15(5)11-19(17)20-12-16(6)8-10-18(20)14(3)4/h13-20H,7-12H2,1-6H3
InChIKeyKECQQXKCBPXWMM-UHFFFAOYSA-N
MW278.52 g/mol
LogP6.40
Rot. Bonds3

About 4-methyl-2-(5-methyl-2-propan-2-ylcyclohexyl)-1-propan-2-ylcyclohexane

4-methyl-2-(5-methyl-2-propan-2-ylcyclohexyl)-1-propan-2-ylcyclohexane (PubChem CID 557970) has the molecular formula C20H38 and a molecular weight of 278.52 g/mol. Its IUPAC name is 4-methyl-2-(5-methyl-2-propan-2-ylcyclohexyl)-1-propan-2-ylcyclohexane.

Molecular Properties

Compound Name4-methyl-2-(5-methyl-2-propan-2-ylcyclohexyl)-1-propan-2-ylcyclohexane
PubChem CID557970
Molecular FormulaC20H38
Molecular Weight278.52 g/mol
Exact Mass278.30
IUPAC Name4-methyl-2-(5-methyl-2-propan-2-ylcyclohexyl)-1-propan-2-ylcyclohexane
SMILESCC1CCC(C(C)C)C(C2CC(C)CCC2C(C)C)C1
InChIInChI=1S/C20H38/c1-13(2)17-9-7-15(5)11-19(17)20-12-16(6)8-10-18(20)14(3)4/h13-20H,7-12H2,1-6H3
InChIKeyKECQQXKCBPXWMM-UHFFFAOYSA-N
XLogP6.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.52
LogP ≤ 56.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(5-methyl-2-propan-2-ylcyclohexyl)-1-propan-2-ylcyclohexane?
The IUPAC name of 4-methyl-2-(5-methyl-2-propan-2-ylcyclohexyl)-1-propan-2-ylcyclohexane (CID 557970) is 4-methyl-2-(5-methyl-2-propan-2-ylcyclohexyl)-1-propan-2-ylcyclohexane.
What is the SMILES notation for 4-methyl-2-(5-methyl-2-propan-2-ylcyclohexyl)-1-propan-2-ylcyclohexane?
The canonical SMILES for 4-methyl-2-(5-methyl-2-propan-2-ylcyclohexyl)-1-propan-2-ylcyclohexane is CC1CCC(C(C)C)C(C2CC(C)CCC2C(C)C)C1.
What is the InChIKey of 4-methyl-2-(5-methyl-2-propan-2-ylcyclohexyl)-1-propan-2-ylcyclohexane?
The InChIKey is KECQQXKCBPXWMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38/c1-13(2)17-9-7-15(5)11-19(17)20-12-16(6)8-10-18(20)14(3)4/h13-20H,7-12H2,1-6H3.
What are the key properties of 4-methyl-2-(5-methyl-2-propan-2-ylcyclohexyl)-1-propan-2-ylcyclohexane?
4-methyl-2-(5-methyl-2-propan-2-ylcyclohexyl)-1-propan-2-ylcyclohexane has a molecular weight of 278.52 g/mol, XLogP of 6.40, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(5-methyl-2-propan-2-ylcyclohexyl)-1-propan-2-ylcyclohexane is sourced from PubChem (CID 557970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).