2-methyl-3-(6-methylheptan-3-yl)oxirane

C11H22O — CID 90735905

IUPAC2-methyl-3-(6-methylheptan-3-yl)oxirane
SMILESCCC(CCC(C)C)C1OC1C
InChIInChI=1S/C11H22O/c1-5-10(7-6-8(2)3)11-9(4)12-11/h8-11H,5-7H2,1-4H3
InChIKeyJWBRQXPGFCCOGO-UHFFFAOYSA-N
MW170.30 g/mol
LogP3.24
Rot. Bonds5

About 2-methyl-3-(6-methylheptan-3-yl)oxirane

2-methyl-3-(6-methylheptan-3-yl)oxirane (PubChem CID 90735905) has the molecular formula C11H22O and a molecular weight of 170.30 g/mol. Its IUPAC name is 2-methyl-3-(6-methylheptan-3-yl)oxirane.

Molecular Properties

Compound Name2-methyl-3-(6-methylheptan-3-yl)oxirane
PubChem CID90735905
Molecular FormulaC11H22O
Molecular Weight170.30 g/mol
Exact Mass170.17
IUPAC Name2-methyl-3-(6-methylheptan-3-yl)oxirane
SMILESCCC(CCC(C)C)C1OC1C
InChIInChI=1S/C11H22O/c1-5-10(7-6-8(2)3)11-9(4)12-11/h8-11H,5-7H2,1-4H3
InChIKeyJWBRQXPGFCCOGO-UHFFFAOYSA-N
XLogP3.24
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 53.24
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-3-(6-methylheptan-3-yl)oxirane?
The IUPAC name of 2-methyl-3-(6-methylheptan-3-yl)oxirane (CID 90735905) is 2-methyl-3-(6-methylheptan-3-yl)oxirane.
What is the SMILES notation for 2-methyl-3-(6-methylheptan-3-yl)oxirane?
The canonical SMILES for 2-methyl-3-(6-methylheptan-3-yl)oxirane is CCC(CCC(C)C)C1OC1C.
What is the InChIKey of 2-methyl-3-(6-methylheptan-3-yl)oxirane?
The InChIKey is JWBRQXPGFCCOGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O/c1-5-10(7-6-8(2)3)11-9(4)12-11/h8-11H,5-7H2,1-4H3.
What are the key properties of 2-methyl-3-(6-methylheptan-3-yl)oxirane?
2-methyl-3-(6-methylheptan-3-yl)oxirane has a molecular weight of 170.30 g/mol, XLogP of 3.24, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(6-methylheptan-3-yl)oxirane is sourced from PubChem (CID 90735905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).