2-methyl-2-(4-methylpentyl)oxirane

C9H18O — CID 19748541

IUPAC2-methyl-2-(4-methylpentyl)oxirane
SMILESCC(C)CCCC1(C)CO1
InChIInChI=1S/C9H18O/c1-8(2)5-4-6-9(3)7-10-9/h8H,4-7H2,1-3H3
InChIKeyHSGWRPLUNQOJTK-UHFFFAOYSA-N
MW142.24 g/mol
LogP2.60
Rot. Bonds4

About 2-methyl-2-(4-methylpentyl)oxirane

2-methyl-2-(4-methylpentyl)oxirane (PubChem CID 19748541) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is 2-methyl-2-(4-methylpentyl)oxirane.

Molecular Properties

Compound Name2-methyl-2-(4-methylpentyl)oxirane
PubChem CID19748541
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Name2-methyl-2-(4-methylpentyl)oxirane
SMILESCC(C)CCCC1(C)CO1
InChIInChI=1S/C9H18O/c1-8(2)5-4-6-9(3)7-10-9/h8H,4-7H2,1-3H3
InChIKeyHSGWRPLUNQOJTK-UHFFFAOYSA-N
XLogP2.60
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.24
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(4-methylpentyl)oxirane?
The IUPAC name of 2-methyl-2-(4-methylpentyl)oxirane (CID 19748541) is 2-methyl-2-(4-methylpentyl)oxirane.
What is the SMILES notation for 2-methyl-2-(4-methylpentyl)oxirane?
The canonical SMILES for 2-methyl-2-(4-methylpentyl)oxirane is CC(C)CCCC1(C)CO1.
What is the InChIKey of 2-methyl-2-(4-methylpentyl)oxirane?
The InChIKey is HSGWRPLUNQOJTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O/c1-8(2)5-4-6-9(3)7-10-9/h8H,4-7H2,1-3H3.
What are the key properties of 2-methyl-2-(4-methylpentyl)oxirane?
2-methyl-2-(4-methylpentyl)oxirane has a molecular weight of 142.24 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(4-methylpentyl)oxirane is sourced from PubChem (CID 19748541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).