dimethyl (2R,3S)-2,3-bis(ethenyl)butanedioate

C10H14O4 — CID 10584098

IUPACdimethyl (2R,3S)-2,3-bis(ethenyl)butanedioate
SMILESC=C[C@H](C(=O)OC)[C@@H](C=C)C(=O)OC
InChIInChI=1S/C10H14O4/c1-5-7(9(11)13-3)8(6-2)10(12)14-4/h5-8H,1-2H2,3-4H3/t7-,8+
InChIKeyPMSVVWATEWAOPR-OCAPTIKFSA-N
MW198.22 g/mol
LogP0.94
Rot. Bonds5

About dimethyl (2R,3S)-2,3-bis(ethenyl)butanedioate

dimethyl (2R,3S)-2,3-bis(ethenyl)butanedioate (PubChem CID 10584098) has the molecular formula C10H14O4 and a molecular weight of 198.22 g/mol. Its IUPAC name is dimethyl (2R,3S)-2,3-bis(ethenyl)butanedioate.

Molecular Properties

Compound Namedimethyl (2R,3S)-2,3-bis(ethenyl)butanedioate
PubChem CID10584098
Molecular FormulaC10H14O4
Molecular Weight198.22 g/mol
Exact Mass198.09
IUPAC Namedimethyl (2R,3S)-2,3-bis(ethenyl)butanedioate
SMILESC=C[C@H](C(=O)OC)[C@@H](C=C)C(=O)OC
InChIInChI=1S/C10H14O4/c1-5-7(9(11)13-3)8(6-2)10(12)14-4/h5-8H,1-2H2,3-4H3/t7-,8+
InChIKeyPMSVVWATEWAOPR-OCAPTIKFSA-N
XLogP0.94
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 50.94
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

Methyl 2-vinylbutanoate
CID 12647078
3-Cyclobutene-1,2-dicarboxylic acid, dimethyl ester
CID 573877
Dimethyl cis-cyclobut-3-ene-1,2-dicarboxylate
CID 10855912
4-Pentenoic acid, 2-ethenyl-, methyl ester
CID 10898798
Butanedioic acid, 2-(2-propen-1-yl)-, 1,4-dimethyl ester
CID 13194780
Succinic acid, 3-methylbut-2-yl but-3-en-1-yl ester
CID 91692698
Succinic acid, 3-methylbut-2-yl pent-4-en-1-yl ester
CID 91694848
Succinic acid, 3-methylbut-2-yl pent-4-en-2-yl ester
CID 91695773
Succinic acid, isobutyl pent-4-enyl ester
CID 91701744
Dimethyl 2-ethenylbutanedioate
CID 14176387
dimethyl (1R,2R,3Z,7Z)-cycloocta-3,7-diene-1,2-dicarboxylate
CID 13049317
Diethyl 2-ethenyl-3-methylbutanedioate
CID 14241581

Frequently Asked Questions

What is the IUPAC name of dimethyl (2R,3S)-2,3-bis(ethenyl)butanedioate?
The IUPAC name of dimethyl (2R,3S)-2,3-bis(ethenyl)butanedioate (CID 10584098) is dimethyl (2R,3S)-2,3-bis(ethenyl)butanedioate.
What is the SMILES notation for dimethyl (2R,3S)-2,3-bis(ethenyl)butanedioate?
The canonical SMILES for dimethyl (2R,3S)-2,3-bis(ethenyl)butanedioate is C=C[C@H](C(=O)OC)[C@@H](C=C)C(=O)OC.
What is the InChIKey of dimethyl (2R,3S)-2,3-bis(ethenyl)butanedioate?
The InChIKey is PMSVVWATEWAOPR-OCAPTIKFSA-N. The full InChI is InChI=1S/C10H14O4/c1-5-7(9(11)13-3)8(6-2)10(12)14-4/h5-8H,1-2H2,3-4H3/t7-,8+.
What are the key properties of dimethyl (2R,3S)-2,3-bis(ethenyl)butanedioate?
dimethyl (2R,3S)-2,3-bis(ethenyl)butanedioate has a molecular weight of 198.22 g/mol, XLogP of 0.94, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (2R,3S)-2,3-bis(ethenyl)butanedioate is sourced from PubChem (CID 10584098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).