1-[[2-[[2-(2,3-dimethylbutyl)cyclopropyl]methyl]-2-methylcyclopropyl]methyl]-2-(2-methylpent-3-enyl)cyclobutane

C25H44 — CID 90929042

IUPAC1-[[2-[[2-(2,3-dimethylbutyl)cyclopropyl]methyl]-2-methylcyclopropyl]methyl]-2-(2-methylpent-3-enyl)cyclobutane
SMILESCC=CC(C)CC1CCC1CC1CC1(C)CC1CC1CC(C)C(C)C
InChIInChI=1S/C25H44/c1-7-8-18(4)11-20-9-10-21(20)14-24-16-25(24,6)15-23-13-22(23)12-19(5)17(2)3/h7-8,17-24H,9-16H2,1-6H3
InChIKeyPIPNGWPBEHCKKJ-UHFFFAOYSA-N
MW344.63 g/mol
LogP7.74
Rot. Bonds10

About 1-[[2-[[2-(2,3-dimethylbutyl)cyclopropyl]methyl]-2-methylcyclopropyl]methyl]-2-(2-methylpent-3-enyl)cyclobutane

1-[[2-[[2-(2,3-dimethylbutyl)cyclopropyl]methyl]-2-methylcyclopropyl]methyl]-2-(2-methylpent-3-enyl)cyclobutane (PubChem CID 90929042) has the molecular formula C25H44 and a molecular weight of 344.63 g/mol. Its IUPAC name is 1-[[2-[[2-(2,3-dimethylbutyl)cyclopropyl]methyl]-2-methylcyclopropyl]methyl]-2-(2-methylpent-3-enyl)cyclobutane.

Molecular Properties

Compound Name1-[[2-[[2-(2,3-dimethylbutyl)cyclopropyl]methyl]-2-methylcyclopropyl]methyl]-2-(2-methylpent-3-enyl)cyclobutane
PubChem CID90929042
Molecular FormulaC25H44
Molecular Weight344.63 g/mol
Exact Mass344.34
IUPAC Name1-[[2-[[2-(2,3-dimethylbutyl)cyclopropyl]methyl]-2-methylcyclopropyl]methyl]-2-(2-methylpent-3-enyl)cyclobutane
SMILESCC=CC(C)CC1CCC1CC1CC1(C)CC1CC1CC(C)C(C)C
InChIInChI=1S/C25H44/c1-7-8-18(4)11-20-9-10-21(20)14-24-16-25(24,6)15-23-13-22(23)12-19(5)17(2)3/h7-8,17-24H,9-16H2,1-6H3
InChIKeyPIPNGWPBEHCKKJ-UHFFFAOYSA-N
XLogP7.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.63
LogP ≤ 57.74
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-[[2-[[2-(2,3-dimethylbutyl)cyclopropyl]methyl]-2-methylcyclopropyl]methyl]-2-(2-methylpent-3-enyl)cyclobutane?
The IUPAC name of 1-[[2-[[2-(2,3-dimethylbutyl)cyclopropyl]methyl]-2-methylcyclopropyl]methyl]-2-(2-methylpent-3-enyl)cyclobutane (CID 90929042) is 1-[[2-[[2-(2,3-dimethylbutyl)cyclopropyl]methyl]-2-methylcyclopropyl]methyl]-2-(2-methylpent-3-enyl)cyclobutane.
What is the SMILES notation for 1-[[2-[[2-(2,3-dimethylbutyl)cyclopropyl]methyl]-2-methylcyclopropyl]methyl]-2-(2-methylpent-3-enyl)cyclobutane?
The canonical SMILES for 1-[[2-[[2-(2,3-dimethylbutyl)cyclopropyl]methyl]-2-methylcyclopropyl]methyl]-2-(2-methylpent-3-enyl)cyclobutane is CC=CC(C)CC1CCC1CC1CC1(C)CC1CC1CC(C)C(C)C.
What is the InChIKey of 1-[[2-[[2-(2,3-dimethylbutyl)cyclopropyl]methyl]-2-methylcyclopropyl]methyl]-2-(2-methylpent-3-enyl)cyclobutane?
The InChIKey is PIPNGWPBEHCKKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H44/c1-7-8-18(4)11-20-9-10-21(20)14-24-16-25(24,6)15-23-13-22(23)12-19(5)17(2)3/h7-8,17-24H,9-16H2,1-6H3.
What are the key properties of 1-[[2-[[2-(2,3-dimethylbutyl)cyclopropyl]methyl]-2-methylcyclopropyl]methyl]-2-(2-methylpent-3-enyl)cyclobutane?
1-[[2-[[2-(2,3-dimethylbutyl)cyclopropyl]methyl]-2-methylcyclopropyl]methyl]-2-(2-methylpent-3-enyl)cyclobutane has a molecular weight of 344.63 g/mol, XLogP of 7.74, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-[[2-(2,3-dimethylbutyl)cyclopropyl]methyl]-2-methylcyclopropyl]methyl]-2-(2-methylpent-3-enyl)cyclobutane is sourced from PubChem (CID 90929042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).