[7-(6-cyclohexyl-5-methyl-3-methylidenehexyl)-2,11,13-trimethyl-4,9-dimethylideneheptadecyl]cyclohexane

C42H76 — CID 156722610

IUPAC[7-(6-cyclohexyl-5-methyl-3-methylidenehexyl)-2,11,13-trimethyl-4,9-dimethylideneheptadecyl]cyclohexane
SMILESC=C(CCC(CCC(=C)CC(C)CC1CCCCC1)CC(=C)CC(C)CC(C)CCCC)CC(C)CC1CCCCC1
InChIInChI=1S/C42H76/c1-9-10-17-33(2)26-36(5)29-39(8)32-42(24-22-34(3)27-37(6)30-40-18-13-11-14-19-40)25-23-35(4)28-38(7)31-41-20-15-12-16-21-41/h33,36-38,40-42H,3-4,8-32H2,1-2,5-7H3
InChIKeyMTBWHBAHDFCCGX-UHFFFAOYSA-N
MW581.07 g/mol
LogP14.46
Rot. Bonds23

About [7-(6-cyclohexyl-5-methyl-3-methylidenehexyl)-2,11,13-trimethyl-4,9-dimethylideneheptadecyl]cyclohexane

[7-(6-cyclohexyl-5-methyl-3-methylidenehexyl)-2,11,13-trimethyl-4,9-dimethylideneheptadecyl]cyclohexane (PubChem CID 156722610) has the molecular formula C42H76 and a molecular weight of 581.07 g/mol. Its IUPAC name is [7-(6-cyclohexyl-5-methyl-3-methylidenehexyl)-2,11,13-trimethyl-4,9-dimethylideneheptadecyl]cyclohexane.

Molecular Properties

Compound Name[7-(6-cyclohexyl-5-methyl-3-methylidenehexyl)-2,11,13-trimethyl-4,9-dimethylideneheptadecyl]cyclohexane
PubChem CID156722610
Molecular FormulaC42H76
Molecular Weight581.07 g/mol
Exact Mass580.59
IUPAC Name[7-(6-cyclohexyl-5-methyl-3-methylidenehexyl)-2,11,13-trimethyl-4,9-dimethylideneheptadecyl]cyclohexane
SMILESC=C(CCC(CCC(=C)CC(C)CC1CCCCC1)CC(=C)CC(C)CC(C)CCCC)CC(C)CC1CCCCC1
InChIInChI=1S/C42H76/c1-9-10-17-33(2)26-36(5)29-39(8)32-42(24-22-34(3)27-37(6)30-40-18-13-11-14-19-40)25-23-35(4)28-38(7)31-41-20-15-12-16-21-41/h33,36-38,40-42H,3-4,8-32H2,1-2,5-7H3
InChIKeyMTBWHBAHDFCCGX-UHFFFAOYSA-N
XLogP14.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds23
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500581.07
LogP ≤ 514.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze [7-(6-cyclohexyl-5-methyl-3-methylidenehexyl)-2,11,13-trimethyl-4,9-dimethylideneheptadecyl]cyclohexane with MolForge

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Related Compounds

3,5-dimethylnonan-2-ylcycloheptane
CID 123664073
6-cyclohexyl-5-methylhexanoic acid
CID 70072548
18,23-dimethylidene-20-propyltetracontane
CID 164602954
(3R)-3-(2-methylhexyl)piperidine
CID 155456169
6-cyclopentyl-5-methylhexanoic acid
CID 70074229
2-methyltridecylcyclopropane
CID 123424034
3,5-dimethyl-8-methylidenedodecane
CID 123462776
2-cyclopropylheptylcyclohexane
CID 57268487
9,14-dimethylidene-12-(3-methylidenepentyl)triacontane;ethane;nonane
CID 171825332
1-cyclopentyl-4-ethyloctan-2-amine
CID 115806470
azane;2-methylbutylcyclohexane
CID 143986613
1-cycloheptyl-N-methylhexan-2-amine
CID 115832695

Frequently Asked Questions

What is the IUPAC name of [7-(6-cyclohexyl-5-methyl-3-methylidenehexyl)-2,11,13-trimethyl-4,9-dimethylideneheptadecyl]cyclohexane?
The IUPAC name of [7-(6-cyclohexyl-5-methyl-3-methylidenehexyl)-2,11,13-trimethyl-4,9-dimethylideneheptadecyl]cyclohexane (CID 156722610) is [7-(6-cyclohexyl-5-methyl-3-methylidenehexyl)-2,11,13-trimethyl-4,9-dimethylideneheptadecyl]cyclohexane.
What is the SMILES notation for [7-(6-cyclohexyl-5-methyl-3-methylidenehexyl)-2,11,13-trimethyl-4,9-dimethylideneheptadecyl]cyclohexane?
The canonical SMILES for [7-(6-cyclohexyl-5-methyl-3-methylidenehexyl)-2,11,13-trimethyl-4,9-dimethylideneheptadecyl]cyclohexane is C=C(CCC(CCC(=C)CC(C)CC1CCCCC1)CC(=C)CC(C)CC(C)CCCC)CC(C)CC1CCCCC1.
What is the InChIKey of [7-(6-cyclohexyl-5-methyl-3-methylidenehexyl)-2,11,13-trimethyl-4,9-dimethylideneheptadecyl]cyclohexane?
The InChIKey is MTBWHBAHDFCCGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H76/c1-9-10-17-33(2)26-36(5)29-39(8)32-42(24-22-34(3)27-37(6)30-40-18-13-11-14-19-40)25-23-35(4)28-38(7)31-41-20-15-12-16-21-41/h33,36-38,40-42H,3-4,8-32H2,1-2,5-7H3.
What are the key properties of [7-(6-cyclohexyl-5-methyl-3-methylidenehexyl)-2,11,13-trimethyl-4,9-dimethylideneheptadecyl]cyclohexane?
[7-(6-cyclohexyl-5-methyl-3-methylidenehexyl)-2,11,13-trimethyl-4,9-dimethylideneheptadecyl]cyclohexane has a molecular weight of 581.07 g/mol, XLogP of 14.46, 23 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(6-cyclohexyl-5-methyl-3-methylidenehexyl)-2,11,13-trimethyl-4,9-dimethylideneheptadecyl]cyclohexane is sourced from PubChem (CID 156722610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).