2-methylpentane;4-methylpent-1-ene;2-(2-methylpropyl)oxirane

C18H38O — CID 158851357

IUPAC2-methylpentane;4-methylpent-1-ene;2-(2-methylpropyl)oxirane
SMILESC=CCC(C)C.CC(C)CC1CO1.CCCC(C)C
InChIInChI=1S/C6H12O.C6H14.C6H12/c1-5(2)3-6-4-7-6;2*1-4-5-6(2)3/h5-6H,3-4H2,1-2H3;6H,4-5H2,1-3H3;4,6H,1,5H2,2-3H3
InChIKeyIZMJOONIONEURQ-UHFFFAOYSA-N
MW270.50 g/mol
LogP6.09
Rot. Bonds6

About 2-methylpentane;4-methylpent-1-ene;2-(2-methylpropyl)oxirane

2-methylpentane;4-methylpent-1-ene;2-(2-methylpropyl)oxirane (PubChem CID 158851357) has the molecular formula C18H38O and a molecular weight of 270.50 g/mol. Its IUPAC name is 2-methylpentane;4-methylpent-1-ene;2-(2-methylpropyl)oxirane.

Molecular Properties

Compound Name2-methylpentane;4-methylpent-1-ene;2-(2-methylpropyl)oxirane
PubChem CID158851357
Molecular FormulaC18H38O
Molecular Weight270.50 g/mol
Exact Mass270.29
IUPAC Name2-methylpentane;4-methylpent-1-ene;2-(2-methylpropyl)oxirane
SMILESC=CCC(C)C.CC(C)CC1CO1.CCCC(C)C
InChIInChI=1S/C6H12O.C6H14.C6H12/c1-5(2)3-6-4-7-6;2*1-4-5-6(2)3/h5-6H,3-4H2,1-2H3;6H,4-5H2,1-3H3;4,6H,1,5H2,2-3H3
InChIKeyIZMJOONIONEURQ-UHFFFAOYSA-N
XLogP6.09
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.50
LogP ≤ 56.09
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-methylpentane;4-methylpent-1-ene;2-(2-methylpropyl)oxirane?
The IUPAC name of 2-methylpentane;4-methylpent-1-ene;2-(2-methylpropyl)oxirane (CID 158851357) is 2-methylpentane;4-methylpent-1-ene;2-(2-methylpropyl)oxirane.
What is the SMILES notation for 2-methylpentane;4-methylpent-1-ene;2-(2-methylpropyl)oxirane?
The canonical SMILES for 2-methylpentane;4-methylpent-1-ene;2-(2-methylpropyl)oxirane is C=CCC(C)C.CC(C)CC1CO1.CCCC(C)C.
What is the InChIKey of 2-methylpentane;4-methylpent-1-ene;2-(2-methylpropyl)oxirane?
The InChIKey is IZMJOONIONEURQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O.C6H14.C6H12/c1-5(2)3-6-4-7-6;2*1-4-5-6(2)3/h5-6H,3-4H2,1-2H3;6H,4-5H2,1-3H3;4,6H,1,5H2,2-3H3.
What are the key properties of 2-methylpentane;4-methylpent-1-ene;2-(2-methylpropyl)oxirane?
2-methylpentane;4-methylpent-1-ene;2-(2-methylpropyl)oxirane has a molecular weight of 270.50 g/mol, XLogP of 6.09, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpentane;4-methylpent-1-ene;2-(2-methylpropyl)oxirane is sourced from PubChem (CID 158851357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).