2-methyloxirane;2-(oxiran-2-ylmethoxymethyl)oxirane;prop-1-ene

C12H22O4 — CID 87309549

IUPAC2-methyloxirane;2-(oxiran-2-ylmethoxymethyl)oxirane;prop-1-ene
SMILESC(OCC1CO1)C1CO1.C=CC.CC1CO1
InChIInChI=1S/C6H10O3.C3H6O.C3H6/c1(5-3-8-5)7-2-6-4-9-6;1-3-2-4-3;1-3-2/h5-6H,1-4H2;3H,2H2,1H3;3H,1H2,2H3
InChIKeyCCZZIQMFZYNLAA-UHFFFAOYSA-N
MW230.30 g/mol
LogP1.40
Rot. Bonds4

About 2-methyloxirane;2-(oxiran-2-ylmethoxymethyl)oxirane;prop-1-ene

2-methyloxirane;2-(oxiran-2-ylmethoxymethyl)oxirane;prop-1-ene (PubChem CID 87309549) has the molecular formula C12H22O4 and a molecular weight of 230.30 g/mol. Its IUPAC name is 2-methyloxirane;2-(oxiran-2-ylmethoxymethyl)oxirane;prop-1-ene.

Molecular Properties

Compound Name2-methyloxirane;2-(oxiran-2-ylmethoxymethyl)oxirane;prop-1-ene
PubChem CID87309549
Molecular FormulaC12H22O4
Molecular Weight230.30 g/mol
Exact Mass230.15
IUPAC Name2-methyloxirane;2-(oxiran-2-ylmethoxymethyl)oxirane;prop-1-ene
SMILESC(OCC1CO1)C1CO1.C=CC.CC1CO1
InChIInChI=1S/C6H10O3.C3H6O.C3H6/c1(5-3-8-5)7-2-6-4-9-6;1-3-2-4-3;1-3-2/h5-6H,1-4H2;3H,2H2,1H3;3H,1H2,2H3
InChIKeyCCZZIQMFZYNLAA-UHFFFAOYSA-N
XLogP1.40
TPSA46.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.30
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyloxirane;2-(oxiran-2-ylmethoxymethyl)oxirane;prop-1-ene?
The IUPAC name of 2-methyloxirane;2-(oxiran-2-ylmethoxymethyl)oxirane;prop-1-ene (CID 87309549) is 2-methyloxirane;2-(oxiran-2-ylmethoxymethyl)oxirane;prop-1-ene.
What is the SMILES notation for 2-methyloxirane;2-(oxiran-2-ylmethoxymethyl)oxirane;prop-1-ene?
The canonical SMILES for 2-methyloxirane;2-(oxiran-2-ylmethoxymethyl)oxirane;prop-1-ene is C(OCC1CO1)C1CO1.C=CC.CC1CO1.
What is the InChIKey of 2-methyloxirane;2-(oxiran-2-ylmethoxymethyl)oxirane;prop-1-ene?
The InChIKey is CCZZIQMFZYNLAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3.C3H6O.C3H6/c1(5-3-8-5)7-2-6-4-9-6;1-3-2-4-3;1-3-2/h5-6H,1-4H2;3H,2H2,1H3;3H,1H2,2H3.
What are the key properties of 2-methyloxirane;2-(oxiran-2-ylmethoxymethyl)oxirane;prop-1-ene?
2-methyloxirane;2-(oxiran-2-ylmethoxymethyl)oxirane;prop-1-ene has a molecular weight of 230.30 g/mol, XLogP of 1.40, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyloxirane;2-(oxiran-2-ylmethoxymethyl)oxirane;prop-1-ene is sourced from PubChem (CID 87309549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).