(2-methylidene-1,3-dioxolan-4-yl)methyl (E)-pent-3-enoate

C10H14O4 — CID 155054838

IUPAC(2-methylidene-1,3-dioxolan-4-yl)methyl (E)-pent-3-enoate
SMILESC=C1OCC(COC(=O)C/C=C/C)O1
InChIInChI=1S/C10H14O4/c1-3-4-5-10(11)13-7-9-6-12-8(2)14-9/h3-4,9H,2,5-7H2,1H3/b4-3+
InChIKeyCQBDGNSTCAIDGR-ONEGZZNKSA-N
MW198.22 g/mol
LogP1.38
Rot. Bonds4

About (2-methylidene-1,3-dioxolan-4-yl)methyl (E)-pent-3-enoate

(2-methylidene-1,3-dioxolan-4-yl)methyl (E)-pent-3-enoate (PubChem CID 155054838) has the molecular formula C10H14O4 and a molecular weight of 198.22 g/mol. Its IUPAC name is (2-methylidene-1,3-dioxolan-4-yl)methyl (E)-pent-3-enoate.

Molecular Properties

Compound Name(2-methylidene-1,3-dioxolan-4-yl)methyl (E)-pent-3-enoate
PubChem CID155054838
Molecular FormulaC10H14O4
Molecular Weight198.22 g/mol
Exact Mass198.09
IUPAC Name(2-methylidene-1,3-dioxolan-4-yl)methyl (E)-pent-3-enoate
SMILESC=C1OCC(COC(=O)C/C=C/C)O1
InChIInChI=1S/C10H14O4/c1-3-4-5-10(11)13-7-9-6-12-8(2)14-9/h3-4,9H,2,5-7H2,1H3/b4-3+
InChIKeyCQBDGNSTCAIDGR-ONEGZZNKSA-N
XLogP1.38
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-O-[(2-methylidene-1,3-dioxolan-4-yl)methyl] 3-O-[(2-oxo-1,3-dioxolan-4-yl)methyl] propanedioate
CID 158834493
4-(3-chloroprop-1-en-2-yloxymethyl)-2-methylidene-1,3-dioxolane
CID 89149316
bis[(2-oxo-1,3-dioxolan-4-yl)methyl] pentanedioate
CID 59449201
bis[(2-oxo-1,3-dioxolan-4-yl)methyl] (E)-icos-10-enedioate
CID 132917919
[(4S)-2-oxo-1,3-dioxolan-4-yl]methyl dodecanoate
CID 10334978
(2-oxo-1,3-dioxolan-4-yl)methyl 2-methoxyacetate
CID 14765868
(2-oxo-1,3-dioxolan-4-yl)methyl 3-oxobutanoate
CID 157036865
(2-oxo-1,3-dioxolan-4-yl)methoxycarbonyl propanoate
CID 150514849
(2-oxo-1,3-dioxolan-4-yl)methyl 3-(butylamino)propanoate
CID 102112461
(5,7-dibromo-2,3-dihydrothieno[3,4-b][1,4]dioxin-3-yl)methyl 2-chloroacetate
CID 122221933
oxiran-2-ylmethyl (E)-undec-5-enoate
CID 102240282
oxiran-2-ylmethyl (E)-non-6-enoate
CID 102240268

Frequently Asked Questions

What is the IUPAC name of (2-methylidene-1,3-dioxolan-4-yl)methyl (E)-pent-3-enoate?
The IUPAC name of (2-methylidene-1,3-dioxolan-4-yl)methyl (E)-pent-3-enoate (CID 155054838) is (2-methylidene-1,3-dioxolan-4-yl)methyl (E)-pent-3-enoate.
What is the SMILES notation for (2-methylidene-1,3-dioxolan-4-yl)methyl (E)-pent-3-enoate?
The canonical SMILES for (2-methylidene-1,3-dioxolan-4-yl)methyl (E)-pent-3-enoate is C=C1OCC(COC(=O)C/C=C/C)O1.
What is the InChIKey of (2-methylidene-1,3-dioxolan-4-yl)methyl (E)-pent-3-enoate?
The InChIKey is CQBDGNSTCAIDGR-ONEGZZNKSA-N. The full InChI is InChI=1S/C10H14O4/c1-3-4-5-10(11)13-7-9-6-12-8(2)14-9/h3-4,9H,2,5-7H2,1H3/b4-3+.
What are the key properties of (2-methylidene-1,3-dioxolan-4-yl)methyl (E)-pent-3-enoate?
(2-methylidene-1,3-dioxolan-4-yl)methyl (E)-pent-3-enoate has a molecular weight of 198.22 g/mol, XLogP of 1.38, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylidene-1,3-dioxolan-4-yl)methyl (E)-pent-3-enoate is sourced from PubChem (CID 155054838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).