2-(3-methoxy-2-methylpropyl)oxirane

C7H14O2 — CID 54363358

IUPAC2-(3-methoxy-2-methylpropyl)oxirane
SMILESCOCC(C)CC1CO1
InChIInChI=1S/C7H14O2/c1-6(4-8-2)3-7-5-9-7/h6-7H,3-5H2,1-2H3
InChIKeyKOBMZJGWVXRSGR-UHFFFAOYSA-N
MW130.19 g/mol
LogP1.06
Rot. Bonds4

About 2-(3-methoxy-2-methylpropyl)oxirane

2-(3-methoxy-2-methylpropyl)oxirane (PubChem CID 54363358) has the molecular formula C7H14O2 and a molecular weight of 130.19 g/mol. Its IUPAC name is 2-(3-methoxy-2-methylpropyl)oxirane.

Molecular Properties

Compound Name2-(3-methoxy-2-methylpropyl)oxirane
PubChem CID54363358
Molecular FormulaC7H14O2
Molecular Weight130.19 g/mol
Exact Mass130.10
IUPAC Name2-(3-methoxy-2-methylpropyl)oxirane
SMILESCOCC(C)CC1CO1
InChIInChI=1S/C7H14O2/c1-6(4-8-2)3-7-5-9-7/h6-7H,3-5H2,1-2H3
InChIKeyKOBMZJGWVXRSGR-UHFFFAOYSA-N
XLogP1.06
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 51.06
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

1-chloro-3-methoxy-2-methylpropane;2-(chloromethyl)oxirane
CID 160539452
2-(2-methylbutyl)oxirane
CID 534610
2-(2,4-dimethylpentyl)oxirane
CID 14618591
2-(2-methylhexyl)oxirane
CID 91241308
2-[4-(oxiran-2-yl)-2,3-bis(oxiran-2-ylmethyl)butyl]oxirane
CID 175008248
(2R)-2-[(2R)-1-methoxypropan-2-yl]oxirane
CID 123779064
2-[2-[2-(oxiran-2-ylmethyl)butoxymethyl]butyl]oxirane
CID 174658525
2-(2-chloropropyl)oxirane
CID 22340851
N-ethyl-2-methyl-3-(oxiran-2-yl)propan-1-amine
CID 175013546
2-[2-(butoxymethyl)pentyl]oxirane
CID 91516262
2-methyl-1-(2-methylpropoxy)propane;oxiran-2-ylmethanol
CID 174542269
2-methyl-3-(oxiran-2-yl)propanal
CID 91185266

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-2-methylpropyl)oxirane?
The IUPAC name of 2-(3-methoxy-2-methylpropyl)oxirane (CID 54363358) is 2-(3-methoxy-2-methylpropyl)oxirane.
What is the SMILES notation for 2-(3-methoxy-2-methylpropyl)oxirane?
The canonical SMILES for 2-(3-methoxy-2-methylpropyl)oxirane is COCC(C)CC1CO1.
What is the InChIKey of 2-(3-methoxy-2-methylpropyl)oxirane?
The InChIKey is KOBMZJGWVXRSGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O2/c1-6(4-8-2)3-7-5-9-7/h6-7H,3-5H2,1-2H3.
What are the key properties of 2-(3-methoxy-2-methylpropyl)oxirane?
2-(3-methoxy-2-methylpropyl)oxirane has a molecular weight of 130.19 g/mol, XLogP of 1.06, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-2-methylpropyl)oxirane is sourced from PubChem (CID 54363358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).