(3E)-3-(1-methoxypropylidene)oxolan-2-one

C8H12O3 — CID 14791701

IUPAC(3E)-3-(1-methoxypropylidene)oxolan-2-one
SMILESCC/C(OC)=C1/CCOC1=O
InChIInChI=1S/C8H12O3/c1-3-7(10-2)6-4-5-11-8(6)9/h3-5H2,1-2H3/b7-6+
InChIKeyAHLYEDCSQBGHLH-VOTSOKGWSA-N
MW156.18 g/mol
LogP1.24
Rot. Bonds2

About (3E)-3-(1-methoxypropylidene)oxolan-2-one

(3E)-3-(1-methoxypropylidene)oxolan-2-one (PubChem CID 14791701) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is (3E)-3-(1-methoxypropylidene)oxolan-2-one.

Molecular Properties

Compound Name(3E)-3-(1-methoxypropylidene)oxolan-2-one
PubChem CID14791701
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Name(3E)-3-(1-methoxypropylidene)oxolan-2-one
SMILESCC/C(OC)=C1/CCOC1=O
InChIInChI=1S/C8H12O3/c1-3-7(10-2)6-4-5-11-8(6)9/h3-5H2,1-2H3/b7-6+
InChIKeyAHLYEDCSQBGHLH-VOTSOKGWSA-N
XLogP1.24
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3E)-3-(1-methoxypropylidene)oxolan-2-one?
The IUPAC name of (3E)-3-(1-methoxypropylidene)oxolan-2-one (CID 14791701) is (3E)-3-(1-methoxypropylidene)oxolan-2-one.
What is the SMILES notation for (3E)-3-(1-methoxypropylidene)oxolan-2-one?
The canonical SMILES for (3E)-3-(1-methoxypropylidene)oxolan-2-one is CC/C(OC)=C1/CCOC1=O.
What is the InChIKey of (3E)-3-(1-methoxypropylidene)oxolan-2-one?
The InChIKey is AHLYEDCSQBGHLH-VOTSOKGWSA-N. The full InChI is InChI=1S/C8H12O3/c1-3-7(10-2)6-4-5-11-8(6)9/h3-5H2,1-2H3/b7-6+.
What are the key properties of (3E)-3-(1-methoxypropylidene)oxolan-2-one?
(3E)-3-(1-methoxypropylidene)oxolan-2-one has a molecular weight of 156.18 g/mol, XLogP of 1.24, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-(1-methoxypropylidene)oxolan-2-one is sourced from PubChem (CID 14791701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).