2-methyl-2-nonyloxirane

C12H24O — CID 10932115

IUPAC2-methyl-2-nonyloxirane
SMILESCCCCCCCCCC1(C)CO1
InChIInChI=1S/C12H24O/c1-3-4-5-6-7-8-9-10-12(2)11-13-12/h3-11H2,1-2H3
InChIKeyOKCLONRLIYEFEH-UHFFFAOYSA-N
MW184.32 g/mol
LogP3.92
Rot. Bonds8

About 2-methyl-2-nonyloxirane

2-methyl-2-nonyloxirane (PubChem CID 10932115) has the molecular formula C12H24O and a molecular weight of 184.32 g/mol. Its IUPAC name is 2-methyl-2-nonyloxirane.

Molecular Properties

Compound Name2-methyl-2-nonyloxirane
PubChem CID10932115
Molecular FormulaC12H24O
Molecular Weight184.32 g/mol
Exact Mass184.18
IUPAC Name2-methyl-2-nonyloxirane
SMILESCCCCCCCCCC1(C)CO1
InChIInChI=1S/C12H24O/c1-3-4-5-6-7-8-9-10-12(2)11-13-12/h3-11H2,1-2H3
InChIKeyOKCLONRLIYEFEH-UHFFFAOYSA-N
XLogP3.92
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.32
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Cyclododecane, 1-methoxy-1-methyl-
CID 161949
1-Oxaspiro(2.6)nonane
CID 642941
Oxirane, 2-(5-methoxy-1,5-dimethylhexyl)-
CID 170303
1,2-Epoxy-8-methylnonane
CID 17824992
2,2-Dipropyloxirane
CID 13411011
2-Methyl-2-(4-methylpentyl)oxirane
CID 19748541
2-(2-Cyclohexylethyl)-2-methyloxirane
CID 84108527
2-Methyl-2-pentyloxirane
CID 559073
1-Oxaspiro[2.7]decane
CID 13240757
1,2-Epoxy-8-methyldecane
CID 86091626
(2R)-2-methyl-2-pentyloxirane
CID 10080419
Oxirane, 3-butyl-2,2-dimethyl-
CID 10953528

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-nonyloxirane?
The IUPAC name of 2-methyl-2-nonyloxirane (CID 10932115) is 2-methyl-2-nonyloxirane.
What is the SMILES notation for 2-methyl-2-nonyloxirane?
The canonical SMILES for 2-methyl-2-nonyloxirane is CCCCCCCCCC1(C)CO1.
What is the InChIKey of 2-methyl-2-nonyloxirane?
The InChIKey is OKCLONRLIYEFEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O/c1-3-4-5-6-7-8-9-10-12(2)11-13-12/h3-11H2,1-2H3.
What are the key properties of 2-methyl-2-nonyloxirane?
2-methyl-2-nonyloxirane has a molecular weight of 184.32 g/mol, XLogP of 3.92, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-nonyloxirane is sourced from PubChem (CID 10932115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).