ethane;2-methyloxirane;prop-1-ene

C12H30O — CID 159933828

IUPACethane;2-methyloxirane;prop-1-ene
SMILESC=CC.CC.CC.CC.CC1CO1
InChIInChI=1S/C3H6O.C3H6.3C2H6/c1-3-2-4-3;1-3-2;3*1-2/h3H,2H2,1H3;3H,1H2,2H3;3*1-2H3
InChIKeyNZZGKPLXBAESTJ-UHFFFAOYSA-N
MW190.37 g/mol
LogP4.68
Rot. Bonds

About ethane;2-methyloxirane;prop-1-ene

ethane;2-methyloxirane;prop-1-ene (PubChem CID 159933828) has the molecular formula C12H30O and a molecular weight of 190.37 g/mol. Its IUPAC name is ethane;2-methyloxirane;prop-1-ene.

Molecular Properties

Compound Nameethane;2-methyloxirane;prop-1-ene
PubChem CID159933828
Molecular FormulaC12H30O
Molecular Weight190.37 g/mol
Exact Mass190.23
IUPAC Nameethane;2-methyloxirane;prop-1-ene
SMILESC=CC.CC.CC.CC.CC1CO1
InChIInChI=1S/C3H6O.C3H6.3C2H6/c1-3-2-4-3;1-3-2;3*1-2/h3H,2H2,1H3;3H,1H2,2H3;3*1-2H3
InChIKeyNZZGKPLXBAESTJ-UHFFFAOYSA-N
XLogP4.68
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.37
LogP ≤ 54.68
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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Frequently Asked Questions

What is the IUPAC name of ethane;2-methyloxirane;prop-1-ene?
The IUPAC name of ethane;2-methyloxirane;prop-1-ene (CID 159933828) is ethane;2-methyloxirane;prop-1-ene.
What is the SMILES notation for ethane;2-methyloxirane;prop-1-ene?
The canonical SMILES for ethane;2-methyloxirane;prop-1-ene is C=CC.CC.CC.CC.CC1CO1.
What is the InChIKey of ethane;2-methyloxirane;prop-1-ene?
The InChIKey is NZZGKPLXBAESTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O.C3H6.3C2H6/c1-3-2-4-3;1-3-2;3*1-2/h3H,2H2,1H3;3H,1H2,2H3;3*1-2H3.
What are the key properties of ethane;2-methyloxirane;prop-1-ene?
ethane;2-methyloxirane;prop-1-ene has a molecular weight of 190.37 g/mol, XLogP of 4.68, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyloxirane;prop-1-ene is sourced from PubChem (CID 159933828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).