dimethyl 2-[(2S)-pent-3-en-2-yl]propanedioate

C10H16O4 — CID 71353603

IUPACdimethyl 2-[(2S)-pent-3-en-2-yl]propanedioate
SMILESCC=C[C@H](C)C(C(=O)OC)C(=O)OC
InChIInChI=1S/C10H16O4/c1-5-6-7(2)8(9(11)13-3)10(12)14-4/h5-8H,1-4H3/t7-/m0/s1
InChIKeyQKRHRRSSZPRFKF-ZETCQYMHSA-N
MW200.23 g/mol
LogP1.16
Rot. Bonds4

About dimethyl 2-[(2S)-pent-3-en-2-yl]propanedioate

dimethyl 2-[(2S)-pent-3-en-2-yl]propanedioate (PubChem CID 71353603) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is dimethyl 2-[(2S)-pent-3-en-2-yl]propanedioate.

Molecular Properties

Compound Namedimethyl 2-[(2S)-pent-3-en-2-yl]propanedioate
PubChem CID71353603
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Namedimethyl 2-[(2S)-pent-3-en-2-yl]propanedioate
SMILESCC=C[C@H](C)C(C(=O)OC)C(=O)OC
InChIInChI=1S/C10H16O4/c1-5-6-7(2)8(9(11)13-3)10(12)14-4/h5-8H,1-4H3/t7-/m0/s1
InChIKeyQKRHRRSSZPRFKF-ZETCQYMHSA-N
XLogP1.16
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

dimethyl 2-[(E,2R)-4-cyanobut-3-en-2-yl]propanedioate
CID 11506731
dimethyl 2-[(E)-hept-3-en-2-yl]propanedioate
CID 134981164
methyl 2-formylpent-3-enoate
CID 174719827
dimethyl 2-[(E,1R)-1-phenylbut-2-enyl]propanedioate
CID 13217835
methyl (E)-2-fluoropent-3-enoate
CID 134934364
tetramethyl 2-methylpropane-1,1,3,3-tetracarboxylate
CID 2192496
methyl 2-ethylpent-3-enoate
CID 154241001
propan-2-yl (Z,2S,3S)-2-hydroxy-3-methylhex-4-enoate
CID 23256461
(2R)-4-methoxy-3-methoxycarbonyl-2-methyl-4-oxobutanoic acid
CID 134916986
methyl (E)-3-methyl-2-[(E)-3-phenylprop-2-enyl]hex-4-enoate
CID 102485745
methyl (2R,3S)-3-methyl-5-oxo-2-[(E)-prop-1-enyl]heptanoate
CID 101229604
methyl (Z)-2,3-dimethylpent-3-enoate
CID 134940363

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-[(2S)-pent-3-en-2-yl]propanedioate?
The IUPAC name of dimethyl 2-[(2S)-pent-3-en-2-yl]propanedioate (CID 71353603) is dimethyl 2-[(2S)-pent-3-en-2-yl]propanedioate.
What is the SMILES notation for dimethyl 2-[(2S)-pent-3-en-2-yl]propanedioate?
The canonical SMILES for dimethyl 2-[(2S)-pent-3-en-2-yl]propanedioate is CC=C[C@H](C)C(C(=O)OC)C(=O)OC.
What is the InChIKey of dimethyl 2-[(2S)-pent-3-en-2-yl]propanedioate?
The InChIKey is QKRHRRSSZPRFKF-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H16O4/c1-5-6-7(2)8(9(11)13-3)10(12)14-4/h5-8H,1-4H3/t7-/m0/s1.
What are the key properties of dimethyl 2-[(2S)-pent-3-en-2-yl]propanedioate?
dimethyl 2-[(2S)-pent-3-en-2-yl]propanedioate has a molecular weight of 200.23 g/mol, XLogP of 1.16, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-[(2S)-pent-3-en-2-yl]propanedioate is sourced from PubChem (CID 71353603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).