2-methyl-3-[7-methyl-3-methylidene-2-(3-methylpent-4-enyl)octyl]-2-(4-methylpent-3-enyl)oxirane

C25H44O — CID 42608270

IUPAC2-methyl-3-[7-methyl-3-methylidene-2-(3-methylpent-4-enyl)octyl]-2-(4-methylpent-3-enyl)oxirane
SMILESC=CC(C)CCC(CC1OC1(C)CCC=C(C)C)C(=C)CCCC(C)C
InChIInChI=1S/C25H44O/c1-9-21(6)15-16-23(22(7)14-10-12-19(2)3)18-24-25(8,26-24)17-11-13-20(4)5/h9,13,19,21,23-24H,1,7,10-12,14-18H2,2-6,8H3
InChIKeyDFYPQSCRXJHGDF-UHFFFAOYSA-N
MW360.63 g/mol
LogP7.88
Rot. Bonds14

About 2-methyl-3-[7-methyl-3-methylidene-2-(3-methylpent-4-enyl)octyl]-2-(4-methylpent-3-enyl)oxirane

2-methyl-3-[7-methyl-3-methylidene-2-(3-methylpent-4-enyl)octyl]-2-(4-methylpent-3-enyl)oxirane (PubChem CID 42608270) has the molecular formula C25H44O and a molecular weight of 360.63 g/mol. Its IUPAC name is 2-methyl-3-[7-methyl-3-methylidene-2-(3-methylpent-4-enyl)octyl]-2-(4-methylpent-3-enyl)oxirane.

Molecular Properties

Compound Name2-methyl-3-[7-methyl-3-methylidene-2-(3-methylpent-4-enyl)octyl]-2-(4-methylpent-3-enyl)oxirane
PubChem CID42608270
Molecular FormulaC25H44O
Molecular Weight360.63 g/mol
Exact Mass360.34
IUPAC Name2-methyl-3-[7-methyl-3-methylidene-2-(3-methylpent-4-enyl)octyl]-2-(4-methylpent-3-enyl)oxirane
SMILESC=CC(C)CCC(CC1OC1(C)CCC=C(C)C)C(=C)CCCC(C)C
InChIInChI=1S/C25H44O/c1-9-21(6)15-16-23(22(7)14-10-12-19(2)3)18-24-25(8,26-24)17-11-13-20(4)5/h9,13,19,21,23-24H,1,7,10-12,14-18H2,2-6,8H3
InChIKeyDFYPQSCRXJHGDF-UHFFFAOYSA-N
XLogP7.88
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.63
LogP ≤ 57.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[7-methyl-3-methylidene-2-(3-methylpent-4-enyl)octyl]-2-(4-methylpent-3-enyl)oxirane?
The IUPAC name of 2-methyl-3-[7-methyl-3-methylidene-2-(3-methylpent-4-enyl)octyl]-2-(4-methylpent-3-enyl)oxirane (CID 42608270) is 2-methyl-3-[7-methyl-3-methylidene-2-(3-methylpent-4-enyl)octyl]-2-(4-methylpent-3-enyl)oxirane.
What is the SMILES notation for 2-methyl-3-[7-methyl-3-methylidene-2-(3-methylpent-4-enyl)octyl]-2-(4-methylpent-3-enyl)oxirane?
The canonical SMILES for 2-methyl-3-[7-methyl-3-methylidene-2-(3-methylpent-4-enyl)octyl]-2-(4-methylpent-3-enyl)oxirane is C=CC(C)CCC(CC1OC1(C)CCC=C(C)C)C(=C)CCCC(C)C.
What is the InChIKey of 2-methyl-3-[7-methyl-3-methylidene-2-(3-methylpent-4-enyl)octyl]-2-(4-methylpent-3-enyl)oxirane?
The InChIKey is DFYPQSCRXJHGDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H44O/c1-9-21(6)15-16-23(22(7)14-10-12-19(2)3)18-24-25(8,26-24)17-11-13-20(4)5/h9,13,19,21,23-24H,1,7,10-12,14-18H2,2-6,8H3.
What are the key properties of 2-methyl-3-[7-methyl-3-methylidene-2-(3-methylpent-4-enyl)octyl]-2-(4-methylpent-3-enyl)oxirane?
2-methyl-3-[7-methyl-3-methylidene-2-(3-methylpent-4-enyl)octyl]-2-(4-methylpent-3-enyl)oxirane has a molecular weight of 360.63 g/mol, XLogP of 7.88, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[7-methyl-3-methylidene-2-(3-methylpent-4-enyl)octyl]-2-(4-methylpent-3-enyl)oxirane is sourced from PubChem (CID 42608270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).