2-methyloxirane;bis(prop-1-ene)

C9H18O — CID 157154960

IUPAC2-methyloxirane;bis(prop-1-ene)
SMILESC=CC.C=CC.CC1CO1
InChIInChI=1S/C3H6O.2C3H6/c1-3-2-4-3;2*1-3-2/h3H,2H2,1H3;2*3H,1H2,2H3
InChIKeyALRVVBQZTGGMAG-UHFFFAOYSA-N
MW142.24 g/mol
LogP2.79
Rot. Bonds

About 2-methyloxirane;bis(prop-1-ene)

2-methyloxirane;bis(prop-1-ene) (PubChem CID 157154960) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is 2-methyloxirane;bis(prop-1-ene).

Molecular Properties

Compound Name2-methyloxirane;bis(prop-1-ene)
PubChem CID157154960
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Name2-methyloxirane;bis(prop-1-ene)
SMILESC=CC.C=CC.CC1CO1
InChIInChI=1S/C3H6O.2C3H6/c1-3-2-4-3;2*1-3-2/h3H,2H2,1H3;2*3H,1H2,2H3
InChIKeyALRVVBQZTGGMAG-UHFFFAOYSA-N
XLogP2.79
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.24
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 173126818
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(2-methyloxirane);oxirane
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Frequently Asked Questions

What is the IUPAC name of 2-methyloxirane;bis(prop-1-ene)?
The IUPAC name of 2-methyloxirane;bis(prop-1-ene) (CID 157154960) is 2-methyloxirane;bis(prop-1-ene).
What is the SMILES notation for 2-methyloxirane;bis(prop-1-ene)?
The canonical SMILES for 2-methyloxirane;bis(prop-1-ene) is C=CC.C=CC.CC1CO1.
What is the InChIKey of 2-methyloxirane;bis(prop-1-ene)?
The InChIKey is ALRVVBQZTGGMAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O.2C3H6/c1-3-2-4-3;2*1-3-2/h3H,2H2,1H3;2*3H,1H2,2H3.
What are the key properties of 2-methyloxirane;bis(prop-1-ene)?
2-methyloxirane;bis(prop-1-ene) has a molecular weight of 142.24 g/mol, XLogP of 2.79, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyloxirane;bis(prop-1-ene) is sourced from PubChem (CID 157154960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).