2-methyl-4-(4-methylcyclohexyl)-1-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane

C23H40 — CID 59775475

IUPAC2-methyl-4-(4-methylcyclohexyl)-1-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane
SMILESC/C=C/C1CCC(C2CCC(C3CCC(C)CC3)CC2C)CC1
InChIInChI=1S/C23H40/c1-4-5-19-8-12-21(13-9-19)23-15-14-22(16-18(23)3)20-10-6-17(2)7-11-20/h4-5,17-23H,6-16H2,1-3H3/b5-4+
InChIKeyCXQUDZHDPOASBO-SNAWJCMRSA-N
MW316.57 g/mol
LogP7.25
Rot. Bonds3

About 2-methyl-4-(4-methylcyclohexyl)-1-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane

2-methyl-4-(4-methylcyclohexyl)-1-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane (PubChem CID 59775475) has the molecular formula C23H40 and a molecular weight of 316.57 g/mol. Its IUPAC name is 2-methyl-4-(4-methylcyclohexyl)-1-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane.

Molecular Properties

Compound Name2-methyl-4-(4-methylcyclohexyl)-1-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane
PubChem CID59775475
Molecular FormulaC23H40
Molecular Weight316.57 g/mol
Exact Mass316.31
IUPAC Name2-methyl-4-(4-methylcyclohexyl)-1-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane
SMILESC/C=C/C1CCC(C2CCC(C3CCC(C)CC3)CC2C)CC1
InChIInChI=1S/C23H40/c1-4-5-19-8-12-21(13-9-19)23-15-14-22(16-18(23)3)20-10-6-17(2)7-11-20/h4-5,17-23H,6-16H2,1-3H3/b5-4+
InChIKeyCXQUDZHDPOASBO-SNAWJCMRSA-N
XLogP7.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.57
LogP ≤ 57.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(4-methylcyclohexyl)-1-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane?
The IUPAC name of 2-methyl-4-(4-methylcyclohexyl)-1-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane (CID 59775475) is 2-methyl-4-(4-methylcyclohexyl)-1-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane.
What is the SMILES notation for 2-methyl-4-(4-methylcyclohexyl)-1-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane?
The canonical SMILES for 2-methyl-4-(4-methylcyclohexyl)-1-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane is C/C=C/C1CCC(C2CCC(C3CCC(C)CC3)CC2C)CC1.
What is the InChIKey of 2-methyl-4-(4-methylcyclohexyl)-1-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane?
The InChIKey is CXQUDZHDPOASBO-SNAWJCMRSA-N. The full InChI is InChI=1S/C23H40/c1-4-5-19-8-12-21(13-9-19)23-15-14-22(16-18(23)3)20-10-6-17(2)7-11-20/h4-5,17-23H,6-16H2,1-3H3/b5-4+.
What are the key properties of 2-methyl-4-(4-methylcyclohexyl)-1-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane?
2-methyl-4-(4-methylcyclohexyl)-1-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane has a molecular weight of 316.57 g/mol, XLogP of 7.25, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(4-methylcyclohexyl)-1-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane is sourced from PubChem (CID 59775475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).