(4Z)-4-but-3-enylidene-5-methyl-1,3-dioxolan-2-one

C8H10O3 — CID 100927912

IUPAC(4Z)-4-but-3-enylidene-5-methyl-1,3-dioxolan-2-one
SMILESC=CC/C=C1\OC(=O)OC1C
InChIInChI=1S/C8H10O3/c1-3-4-5-7-6(2)10-8(9)11-7/h3,5-6H,1,4H2,2H3/b7-5-
InChIKeyWPVVPDCYUQFWMM-ALCCZGGFSA-N
MW154.16 g/mol
LogP2.00
Rot. Bonds2

About (4Z)-4-but-3-enylidene-5-methyl-1,3-dioxolan-2-one

(4Z)-4-but-3-enylidene-5-methyl-1,3-dioxolan-2-one (PubChem CID 100927912) has the molecular formula C8H10O3 and a molecular weight of 154.16 g/mol. Its IUPAC name is (4Z)-4-but-3-enylidene-5-methyl-1,3-dioxolan-2-one.

Molecular Properties

Compound Name(4Z)-4-but-3-enylidene-5-methyl-1,3-dioxolan-2-one
PubChem CID100927912
Molecular FormulaC8H10O3
Molecular Weight154.16 g/mol
Exact Mass154.06
IUPAC Name(4Z)-4-but-3-enylidene-5-methyl-1,3-dioxolan-2-one
SMILESC=CC/C=C1\OC(=O)OC1C
InChIInChI=1S/C8H10O3/c1-3-4-5-7-6(2)10-8(9)11-7/h3,5-6H,1,4H2,2H3/b7-5-
InChIKeyWPVVPDCYUQFWMM-ALCCZGGFSA-N
XLogP2.00
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.16
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,2-bis[(E)-prop-1-enyl]-1,3-dioxolane
CID 135079611
ethyl [(E)-pent-3-en-2-yl] carbonate
CID 10877392
4-[(E)-2-fluoropent-2-enoxy]-4,5-dimethyl-1,3-dioxolan-2-one
CID 169926902
4-(3-Fluoropropylidene)-1,3-dioxolan-2-one
CID 173583478
ethyl [(Z,2S)-pent-3-en-2-yl] carbonate
CID 11116319
4-Ethylidene-5-(1-methoxyethenyl)-1,3-dioxolan-2-one
CID 91192097
[(Z)-pent-2-en-3-yl] prop-2-enyl carbonate
CID 135083674
(4S)-4-[(1E)-2-methoxybuta-1,3-dienyl]-2,2-dimethyl-1,3-dioxolane
CID 11298347
Ycvgbqwekamokc-sofgywhqsa-
CID 21579716
4-[(1Z)-2-methoxybuta-1,3-dienyl]-2,2-dimethyl-1,3-dioxolane
CID 23250999
(E)-2-methyl-2-(prop-1-en-1-yl)-1,3-dioxolane
CID 10855469
(4E)-4-pent-4-en-2-ylidene-1,3-dioxolan-2-one
CID 11159430

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-but-3-enylidene-5-methyl-1,3-dioxolan-2-one?
The IUPAC name of (4Z)-4-but-3-enylidene-5-methyl-1,3-dioxolan-2-one (CID 100927912) is (4Z)-4-but-3-enylidene-5-methyl-1,3-dioxolan-2-one.
What is the SMILES notation for (4Z)-4-but-3-enylidene-5-methyl-1,3-dioxolan-2-one?
The canonical SMILES for (4Z)-4-but-3-enylidene-5-methyl-1,3-dioxolan-2-one is C=CC/C=C1\OC(=O)OC1C.
What is the InChIKey of (4Z)-4-but-3-enylidene-5-methyl-1,3-dioxolan-2-one?
The InChIKey is WPVVPDCYUQFWMM-ALCCZGGFSA-N. The full InChI is InChI=1S/C8H10O3/c1-3-4-5-7-6(2)10-8(9)11-7/h3,5-6H,1,4H2,2H3/b7-5-.
What are the key properties of (4Z)-4-but-3-enylidene-5-methyl-1,3-dioxolan-2-one?
(4Z)-4-but-3-enylidene-5-methyl-1,3-dioxolan-2-one has a molecular weight of 154.16 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-but-3-enylidene-5-methyl-1,3-dioxolan-2-one is sourced from PubChem (CID 100927912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).