4-(11-ethyl-14-methyl-10-methylidenepentadecyl)-1,2-dimethylcyclohexane

C27H52 — CID 143243624

IUPAC4-(11-ethyl-14-methyl-10-methylidenepentadecyl)-1,2-dimethylcyclohexane
SMILESC=C(CCCCCCCCCC1CCC(C)C(C)C1)C(CC)CCC(C)C
InChIInChI=1S/C27H52/c1-7-27(20-17-22(2)3)24(5)15-13-11-9-8-10-12-14-16-26-19-18-23(4)25(6)21-26/h22-23,25-27H,5,7-21H2,1-4,6H3
InChIKeyHRRYICDEWIXNBK-UHFFFAOYSA-N
MW376.71 g/mol
LogP9.59
Rot. Bonds15

About 4-(11-ethyl-14-methyl-10-methylidenepentadecyl)-1,2-dimethylcyclohexane

4-(11-ethyl-14-methyl-10-methylidenepentadecyl)-1,2-dimethylcyclohexane (PubChem CID 143243624) has the molecular formula C27H52 and a molecular weight of 376.71 g/mol. Its IUPAC name is 4-(11-ethyl-14-methyl-10-methylidenepentadecyl)-1,2-dimethylcyclohexane.

Molecular Properties

Compound Name4-(11-ethyl-14-methyl-10-methylidenepentadecyl)-1,2-dimethylcyclohexane
PubChem CID143243624
Molecular FormulaC27H52
Molecular Weight376.71 g/mol
Exact Mass376.41
IUPAC Name4-(11-ethyl-14-methyl-10-methylidenepentadecyl)-1,2-dimethylcyclohexane
SMILESC=C(CCCCCCCCCC1CCC(C)C(C)C1)C(CC)CCC(C)C
InChIInChI=1S/C27H52/c1-7-27(20-17-22(2)3)24(5)15-13-11-9-8-10-12-14-16-26-19-18-23(4)25(6)21-26/h22-23,25-27H,5,7-21H2,1-4,6H3
InChIKeyHRRYICDEWIXNBK-UHFFFAOYSA-N
XLogP9.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.71
LogP ≤ 59.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(11-ethyl-14-methyl-10-methylidenepentadecyl)-1,2-dimethylcyclohexane?
The IUPAC name of 4-(11-ethyl-14-methyl-10-methylidenepentadecyl)-1,2-dimethylcyclohexane (CID 143243624) is 4-(11-ethyl-14-methyl-10-methylidenepentadecyl)-1,2-dimethylcyclohexane.
What is the SMILES notation for 4-(11-ethyl-14-methyl-10-methylidenepentadecyl)-1,2-dimethylcyclohexane?
The canonical SMILES for 4-(11-ethyl-14-methyl-10-methylidenepentadecyl)-1,2-dimethylcyclohexane is C=C(CCCCCCCCCC1CCC(C)C(C)C1)C(CC)CCC(C)C.
What is the InChIKey of 4-(11-ethyl-14-methyl-10-methylidenepentadecyl)-1,2-dimethylcyclohexane?
The InChIKey is HRRYICDEWIXNBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H52/c1-7-27(20-17-22(2)3)24(5)15-13-11-9-8-10-12-14-16-26-19-18-23(4)25(6)21-26/h22-23,25-27H,5,7-21H2,1-4,6H3.
What are the key properties of 4-(11-ethyl-14-methyl-10-methylidenepentadecyl)-1,2-dimethylcyclohexane?
4-(11-ethyl-14-methyl-10-methylidenepentadecyl)-1,2-dimethylcyclohexane has a molecular weight of 376.71 g/mol, XLogP of 9.59, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(11-ethyl-14-methyl-10-methylidenepentadecyl)-1,2-dimethylcyclohexane is sourced from PubChem (CID 143243624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).