5-(3,7-dimethylnonyl)-1,2,3,4,4,6-hexamethylcyclohexene

C23H44 — CID 123992399

IUPAC5-(3,7-dimethylnonyl)-1,2,3,4,4,6-hexamethylcyclohexene
SMILESCCC(C)CCCC(C)CCC1C(C)C(C)=C(C)C(C)C1(C)C
InChIInChI=1S/C23H44/c1-10-16(2)12-11-13-17(3)14-15-22-20(6)18(4)19(5)21(7)23(22,8)9/h16-17,20-22H,10-15H2,1-9H3
InChIKeyQYSCNWGJXQRBOL-UHFFFAOYSA-N
MW320.61 g/mol
LogP7.88
Rot. Bonds8

About 5-(3,7-dimethylnonyl)-1,2,3,4,4,6-hexamethylcyclohexene

5-(3,7-dimethylnonyl)-1,2,3,4,4,6-hexamethylcyclohexene (PubChem CID 123992399) has the molecular formula C23H44 and a molecular weight of 320.61 g/mol. Its IUPAC name is 5-(3,7-dimethylnonyl)-1,2,3,4,4,6-hexamethylcyclohexene.

Molecular Properties

Compound Name5-(3,7-dimethylnonyl)-1,2,3,4,4,6-hexamethylcyclohexene
PubChem CID123992399
Molecular FormulaC23H44
Molecular Weight320.61 g/mol
Exact Mass320.34
IUPAC Name5-(3,7-dimethylnonyl)-1,2,3,4,4,6-hexamethylcyclohexene
SMILESCCC(C)CCCC(C)CCC1C(C)C(C)=C(C)C(C)C1(C)C
InChIInChI=1S/C23H44/c1-10-16(2)12-11-13-17(3)14-15-22-20(6)18(4)19(5)21(7)23(22,8)9/h16-17,20-22H,10-15H2,1-9H3
InChIKeyQYSCNWGJXQRBOL-UHFFFAOYSA-N
XLogP7.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.61
LogP ≤ 57.88
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 5-(3,7-dimethylnonyl)-1,2,3,4,4,6-hexamethylcyclohexene?
The IUPAC name of 5-(3,7-dimethylnonyl)-1,2,3,4,4,6-hexamethylcyclohexene (CID 123992399) is 5-(3,7-dimethylnonyl)-1,2,3,4,4,6-hexamethylcyclohexene.
What is the SMILES notation for 5-(3,7-dimethylnonyl)-1,2,3,4,4,6-hexamethylcyclohexene?
The canonical SMILES for 5-(3,7-dimethylnonyl)-1,2,3,4,4,6-hexamethylcyclohexene is CCC(C)CCCC(C)CCC1C(C)C(C)=C(C)C(C)C1(C)C.
What is the InChIKey of 5-(3,7-dimethylnonyl)-1,2,3,4,4,6-hexamethylcyclohexene?
The InChIKey is QYSCNWGJXQRBOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H44/c1-10-16(2)12-11-13-17(3)14-15-22-20(6)18(4)19(5)21(7)23(22,8)9/h16-17,20-22H,10-15H2,1-9H3.
What are the key properties of 5-(3,7-dimethylnonyl)-1,2,3,4,4,6-hexamethylcyclohexene?
5-(3,7-dimethylnonyl)-1,2,3,4,4,6-hexamethylcyclohexene has a molecular weight of 320.61 g/mol, XLogP of 7.88, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,7-dimethylnonyl)-1,2,3,4,4,6-hexamethylcyclohexene is sourced from PubChem (CID 123992399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).