ethyl (E)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)prop-2-enoate

C10H16O4 — CID 5363635

IUPACethyl (E)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)prop-2-enoate
SMILESCCOC(=O)/C=C/C1COC(C)(C)O1
InChIInChI=1S/C10H16O4/c1-4-12-9(11)6-5-8-7-13-10(2,3)14-8/h5-6,8H,4,7H2,1-3H3/b6-5+
InChIKeyGZVXALXOWVXZLH-AATRIKPKSA-N
MW200.23 g/mol
LogP1.26
Rot. Bonds3

About ethyl (E)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)prop-2-enoate

ethyl (E)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)prop-2-enoate (PubChem CID 5363635) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is ethyl (E)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)prop-2-enoate.

Molecular Properties

Compound Nameethyl (E)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)prop-2-enoate
PubChem CID5363635
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Nameethyl (E)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)prop-2-enoate
SMILESCCOC(=O)/C=C/C1COC(C)(C)O1
InChIInChI=1S/C10H16O4/c1-4-12-9(11)6-5-8-7-13-10(2,3)14-8/h5-6,8H,4,7H2,1-3H3/b6-5+
InChIKeyGZVXALXOWVXZLH-AATRIKPKSA-N
XLogP1.26
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

Homaxinolide C
CID 11301115
Homaxinolide B
CID 11472164
3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoic acid
CID 23563702
Phomalactone acetate
CID 10058507
(5S)-5-methoxy-5-[(11E)-tetradeca-2,5,8,11-tetraenyl]furan-2-one
CID 162968648
(5R)-5-methoxy-5-tetradeca-2,5,8,11-tetraenylfuran-2-one
CID 162968649
(2,5-Dimethoxy-2,5-dihydrofuran-2-yl)methyl acetate
CID 12809174
(S,E)-Ethyl 3-(2,2-dimethyl-1,3-dioxolan-4-yl)acrylate
CID 6364657
Ethyl (R)-(-)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)-trans-2-propenoate
CID 7269394
(5S)-5-(Acetyloxymethyl)-5H-furan-2-one
CID 10898935
Methyl (S)-(+)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)-trans-2-propenoate
CID 10921229
(5S)-5-(Pivaloyloxymethyl)-5H-furan-2-one
CID 10954515

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)prop-2-enoate?
The IUPAC name of ethyl (E)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)prop-2-enoate (CID 5363635) is ethyl (E)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)prop-2-enoate.
What is the SMILES notation for ethyl (E)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)prop-2-enoate?
The canonical SMILES for ethyl (E)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)prop-2-enoate is CCOC(=O)/C=C/C1COC(C)(C)O1.
What is the InChIKey of ethyl (E)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)prop-2-enoate?
The InChIKey is GZVXALXOWVXZLH-AATRIKPKSA-N. The full InChI is InChI=1S/C10H16O4/c1-4-12-9(11)6-5-8-7-13-10(2,3)14-8/h5-6,8H,4,7H2,1-3H3/b6-5+.
What are the key properties of ethyl (E)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)prop-2-enoate?
ethyl (E)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)prop-2-enoate has a molecular weight of 200.23 g/mol, XLogP of 1.26, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)prop-2-enoate is sourced from PubChem (CID 5363635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).