1,5,5-trimethyl-4-(3,4,5,5-tetramethylhexyl)cyclopentene

C18H34 — CID 140825138

IUPAC1,5,5-trimethyl-4-(3,4,5,5-tetramethylhexyl)cyclopentene
SMILESCC1=CCC(CCC(C)C(C)C(C)(C)C)C1(C)C
InChIInChI=1S/C18H34/c1-13(15(3)17(4,5)6)9-11-16-12-10-14(2)18(16,7)8/h10,13,15-16H,9,11-12H2,1-8H3
InChIKeyZYOMSBLTKHDVAR-UHFFFAOYSA-N
MW250.47 g/mol
LogP6.08
Rot. Bonds4

About 1,5,5-trimethyl-4-(3,4,5,5-tetramethylhexyl)cyclopentene

1,5,5-trimethyl-4-(3,4,5,5-tetramethylhexyl)cyclopentene (PubChem CID 140825138) has the molecular formula C18H34 and a molecular weight of 250.47 g/mol. Its IUPAC name is 1,5,5-trimethyl-4-(3,4,5,5-tetramethylhexyl)cyclopentene.

Molecular Properties

Compound Name1,5,5-trimethyl-4-(3,4,5,5-tetramethylhexyl)cyclopentene
PubChem CID140825138
Molecular FormulaC18H34
Molecular Weight250.47 g/mol
Exact Mass250.27
IUPAC Name1,5,5-trimethyl-4-(3,4,5,5-tetramethylhexyl)cyclopentene
SMILESCC1=CCC(CCC(C)C(C)C(C)(C)C)C1(C)C
InChIInChI=1S/C18H34/c1-13(15(3)17(4,5)6)9-11-16-12-10-14(2)18(16,7)8/h10,13,15-16H,9,11-12H2,1-8H3
InChIKeyZYOMSBLTKHDVAR-UHFFFAOYSA-N
XLogP6.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.47
LogP ≤ 56.08
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 1,5,5-trimethyl-4-(3,4,5,5-tetramethylhexyl)cyclopentene?
The IUPAC name of 1,5,5-trimethyl-4-(3,4,5,5-tetramethylhexyl)cyclopentene (CID 140825138) is 1,5,5-trimethyl-4-(3,4,5,5-tetramethylhexyl)cyclopentene.
What is the SMILES notation for 1,5,5-trimethyl-4-(3,4,5,5-tetramethylhexyl)cyclopentene?
The canonical SMILES for 1,5,5-trimethyl-4-(3,4,5,5-tetramethylhexyl)cyclopentene is CC1=CCC(CCC(C)C(C)C(C)(C)C)C1(C)C.
What is the InChIKey of 1,5,5-trimethyl-4-(3,4,5,5-tetramethylhexyl)cyclopentene?
The InChIKey is ZYOMSBLTKHDVAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34/c1-13(15(3)17(4,5)6)9-11-16-12-10-14(2)18(16,7)8/h10,13,15-16H,9,11-12H2,1-8H3.
What are the key properties of 1,5,5-trimethyl-4-(3,4,5,5-tetramethylhexyl)cyclopentene?
1,5,5-trimethyl-4-(3,4,5,5-tetramethylhexyl)cyclopentene has a molecular weight of 250.47 g/mol, XLogP of 6.08, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5,5-trimethyl-4-(3,4,5,5-tetramethylhexyl)cyclopentene is sourced from PubChem (CID 140825138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).