2-(4,6-dimethylheptyl)-2-methyloxirane

C12H24O — CID 22715506

IUPAC2-(4,6-dimethylheptyl)-2-methyloxirane
SMILESCC(C)CC(C)CCCC1(C)CO1
InChIInChI=1S/C12H24O/c1-10(2)8-11(3)6-5-7-12(4)9-13-12/h10-11H,5-9H2,1-4H3
InChIKeyACDLWCQTYZFHOB-UHFFFAOYSA-N
MW184.32 g/mol
LogP3.63
Rot. Bonds6

About 2-(4,6-dimethylheptyl)-2-methyloxirane

2-(4,6-dimethylheptyl)-2-methyloxirane (PubChem CID 22715506) has the molecular formula C12H24O and a molecular weight of 184.32 g/mol. Its IUPAC name is 2-(4,6-dimethylheptyl)-2-methyloxirane.

Molecular Properties

Compound Name2-(4,6-dimethylheptyl)-2-methyloxirane
PubChem CID22715506
Molecular FormulaC12H24O
Molecular Weight184.32 g/mol
Exact Mass184.18
IUPAC Name2-(4,6-dimethylheptyl)-2-methyloxirane
SMILESCC(C)CC(C)CCCC1(C)CO1
InChIInChI=1S/C12H24O/c1-10(2)8-11(3)6-5-7-12(4)9-13-12/h10-11H,5-9H2,1-4H3
InChIKeyACDLWCQTYZFHOB-UHFFFAOYSA-N
XLogP3.63
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.32
LogP ≤ 53.63
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-(4,6-dimethylheptyl)-2-methyloxirane?
The IUPAC name of 2-(4,6-dimethylheptyl)-2-methyloxirane (CID 22715506) is 2-(4,6-dimethylheptyl)-2-methyloxirane.
What is the SMILES notation for 2-(4,6-dimethylheptyl)-2-methyloxirane?
The canonical SMILES for 2-(4,6-dimethylheptyl)-2-methyloxirane is CC(C)CC(C)CCCC1(C)CO1.
What is the InChIKey of 2-(4,6-dimethylheptyl)-2-methyloxirane?
The InChIKey is ACDLWCQTYZFHOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O/c1-10(2)8-11(3)6-5-7-12(4)9-13-12/h10-11H,5-9H2,1-4H3.
What are the key properties of 2-(4,6-dimethylheptyl)-2-methyloxirane?
2-(4,6-dimethylheptyl)-2-methyloxirane has a molecular weight of 184.32 g/mol, XLogP of 3.63, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethylheptyl)-2-methyloxirane is sourced from PubChem (CID 22715506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).