methyl (Z)-2,3-dimethylpent-3-enoate

C8H14O2 — CID 134940363

IUPACmethyl (Z)-2,3-dimethylpent-3-enoate
SMILESC/C=C(/C)C(C)C(=O)OC
InChIInChI=1S/C8H14O2/c1-5-6(2)7(3)8(9)10-4/h5,7H,1-4H3/b6-5-
InChIKeyYMZSFQKILVUUEV-WAYWQWQTSA-N
MW142.20 g/mol
LogP1.76
Rot. Bonds2

About methyl (Z)-2,3-dimethylpent-3-enoate

methyl (Z)-2,3-dimethylpent-3-enoate (PubChem CID 134940363) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is methyl (Z)-2,3-dimethylpent-3-enoate.

Molecular Properties

Compound Namemethyl (Z)-2,3-dimethylpent-3-enoate
PubChem CID134940363
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Namemethyl (Z)-2,3-dimethylpent-3-enoate
SMILESC/C=C(/C)C(C)C(=O)OC
InChIInChI=1S/C8H14O2/c1-5-6(2)7(3)8(9)10-4/h5,7H,1-4H3/b6-5-
InChIKeyYMZSFQKILVUUEV-WAYWQWQTSA-N
XLogP1.76
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-2-methoxycarbonyl-3-methylpent-3-enoic acid
CID 170336551
(E,2R)-2,3-dimethylpent-3-enoic acid
CID 14452500
dimethyl 2-[(4E)-4-methylhexa-1,4-dien-3-yl]propanedioate
CID 22986731
3-O-methoxycarbonyl 1-O-methyl 2-methylpropanedioate
CID 135375113
methyl (E)-2-hydroxy-3,5-dimethylhex-3-enoate
CID 11298226
(Z,2R)-2,3-dimethyl-N,N-di(propan-2-yl)pent-3-enamide
CID 14921251
methyl (2R)-2-hydroxypropanoate;methyl (2S)-2-hydroxypropanoate
CID 76960533
methyl 2-methylpropanoate;titanium
CID 174633551
methyl 2-aminopropanoate
CID 159707893
methyl 4-chloro-2-methyl-3-oxobutanoate
CID 87134668
ethanebis(thioic S-acid);methyl 3-amino-2-methyl-3-oxopropanoate
CID 174394363
3-O-tert-butyl 1-O-methyl (2S)-2-methylpropanedioate
CID 91757639

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-2,3-dimethylpent-3-enoate?
The IUPAC name of methyl (Z)-2,3-dimethylpent-3-enoate (CID 134940363) is methyl (Z)-2,3-dimethylpent-3-enoate.
What is the SMILES notation for methyl (Z)-2,3-dimethylpent-3-enoate?
The canonical SMILES for methyl (Z)-2,3-dimethylpent-3-enoate is C/C=C(/C)C(C)C(=O)OC.
What is the InChIKey of methyl (Z)-2,3-dimethylpent-3-enoate?
The InChIKey is YMZSFQKILVUUEV-WAYWQWQTSA-N. The full InChI is InChI=1S/C8H14O2/c1-5-6(2)7(3)8(9)10-4/h5,7H,1-4H3/b6-5-.
What are the key properties of methyl (Z)-2,3-dimethylpent-3-enoate?
methyl (Z)-2,3-dimethylpent-3-enoate has a molecular weight of 142.20 g/mol, XLogP of 1.76, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-2,3-dimethylpent-3-enoate is sourced from PubChem (CID 134940363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).