3-(5-methoxy-3-methylpentyl)-2,2-dimethyloxirane

C11H22O2 — CID 15686942

IUPAC3-(5-methoxy-3-methylpentyl)-2,2-dimethyloxirane
SMILESCOCCC(C)CCC1OC1(C)C
InChIInChI=1S/C11H22O2/c1-9(7-8-12-4)5-6-10-11(2,3)13-10/h9-10H,5-8H2,1-4H3
InChIKeyGHKUTQHXEUOYSA-UHFFFAOYSA-N
MW186.29 g/mol
LogP2.62
Rot. Bonds6

About 3-(5-methoxy-3-methylpentyl)-2,2-dimethyloxirane

3-(5-methoxy-3-methylpentyl)-2,2-dimethyloxirane (PubChem CID 15686942) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is 3-(5-methoxy-3-methylpentyl)-2,2-dimethyloxirane.

Molecular Properties

Compound Name3-(5-methoxy-3-methylpentyl)-2,2-dimethyloxirane
PubChem CID15686942
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name3-(5-methoxy-3-methylpentyl)-2,2-dimethyloxirane
SMILESCOCCC(C)CCC1OC1(C)C
InChIInChI=1S/C11H22O2/c1-9(7-8-12-4)5-6-10-11(2,3)13-10/h9-10H,5-8H2,1-4H3
InChIKeyGHKUTQHXEUOYSA-UHFFFAOYSA-N
XLogP2.62
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.29
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Disparlure
CID 62850
2-Oxiranepentanol, gamma,3,3-trimethyl-
CID 98467
5-isopropyl-2,6-diethyl-2-methyltetrahydro-2H-pyran
CID 45274957
Octane, 2-(or 6)-ethoxy-2,6-dimethyl-
CID 86129
Oxirane, 2-(5-methoxy-1,5-dimethylhexyl)-
CID 170303
(2S,3R)-2-Decyl-3-(5-methylhexyl)oxirane
CID 171384
2-Decyl-3-(5-methylhexyl)oxirane
CID 205983
2-Methyl-Z-7,8-epoxyhexadecane
CID 549785
cis-6,7-Epoxy-2-methylheptadecane
CID 56936245
cis-(7R,8S)-Epoxy-2-methyleicosane
CID 56936257
cis-(7S,8R)-Epoxy-2-methyleicosane
CID 56936258
Furan, tetrahydro-2,2-dimethyl-5-(1-methylpropyl)-
CID 520663

Frequently Asked Questions

What is the IUPAC name of 3-(5-methoxy-3-methylpentyl)-2,2-dimethyloxirane?
The IUPAC name of 3-(5-methoxy-3-methylpentyl)-2,2-dimethyloxirane (CID 15686942) is 3-(5-methoxy-3-methylpentyl)-2,2-dimethyloxirane.
What is the SMILES notation for 3-(5-methoxy-3-methylpentyl)-2,2-dimethyloxirane?
The canonical SMILES for 3-(5-methoxy-3-methylpentyl)-2,2-dimethyloxirane is COCCC(C)CCC1OC1(C)C.
What is the InChIKey of 3-(5-methoxy-3-methylpentyl)-2,2-dimethyloxirane?
The InChIKey is GHKUTQHXEUOYSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2/c1-9(7-8-12-4)5-6-10-11(2,3)13-10/h9-10H,5-8H2,1-4H3.
What are the key properties of 3-(5-methoxy-3-methylpentyl)-2,2-dimethyloxirane?
3-(5-methoxy-3-methylpentyl)-2,2-dimethyloxirane has a molecular weight of 186.29 g/mol, XLogP of 2.62, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methoxy-3-methylpentyl)-2,2-dimethyloxirane is sourced from PubChem (CID 15686942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).