methyl (Z)-3-hydroxy-4,4-dimethylpent-2-enoate

C8H14O3 — CID 54675983

IUPACmethyl (Z)-3-hydroxy-4,4-dimethylpent-2-enoate
SMILESCOC(=O)/C=C(\O)C(C)(C)C
InChIInChI=1S/C8H14O3/c1-8(2,3)6(9)5-7(10)11-4/h5,9H,1-4H3/b6-5-
InChIKeyLPSBBFKTAOBQNY-WAYWQWQTSA-N
MW158.20 g/mol
LogP1.65
Rot. Bonds1

About methyl (Z)-3-hydroxy-4,4-dimethylpent-2-enoate

methyl (Z)-3-hydroxy-4,4-dimethylpent-2-enoate (PubChem CID 54675983) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is methyl (Z)-3-hydroxy-4,4-dimethylpent-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-3-hydroxy-4,4-dimethylpent-2-enoate
PubChem CID54675983
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Namemethyl (Z)-3-hydroxy-4,4-dimethylpent-2-enoate
SMILESCOC(=O)/C=C(\O)C(C)(C)C
InChIInChI=1S/C8H14O3/c1-8(2,3)6(9)5-7(10)11-4/h5,9H,1-4H3/b6-5-
InChIKeyLPSBBFKTAOBQNY-WAYWQWQTSA-N
XLogP1.65
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methyl 3-hydroxy-3-methoxyprop-2-enoate
CID 610944
methyl 3-hydroxybut-2-enoate
CID 54691070
CID 6849360
CID 6849360
chromium;tris(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one)
CID 5148179
tris((E)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);terbium
CID 71311421
copper;bis((E)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one)
CID 53393500
bis(cobalt(3+));tris(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one)
CID 170922988
(2Z,4E)-3-tert-butyl-6-methoxy-6-oxohexa-2,4-dienoic acid
CID 154412923
methyl (E)-4,4-difluoro-3-methylpent-2-enoate
CID 126732531
methyl (Z)-3-trimethylsilylbut-2-enoate
CID 175176259
dioxomolybdenum;bis((Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one)
CID 102601110
dimethyl 2-(1,1-difluoroethyl)but-2-enedioate
CID 123798903

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-3-hydroxy-4,4-dimethylpent-2-enoate?
The IUPAC name of methyl (Z)-3-hydroxy-4,4-dimethylpent-2-enoate (CID 54675983) is methyl (Z)-3-hydroxy-4,4-dimethylpent-2-enoate.
What is the SMILES notation for methyl (Z)-3-hydroxy-4,4-dimethylpent-2-enoate?
The canonical SMILES for methyl (Z)-3-hydroxy-4,4-dimethylpent-2-enoate is COC(=O)/C=C(\O)C(C)(C)C.
What is the InChIKey of methyl (Z)-3-hydroxy-4,4-dimethylpent-2-enoate?
The InChIKey is LPSBBFKTAOBQNY-WAYWQWQTSA-N. The full InChI is InChI=1S/C8H14O3/c1-8(2,3)6(9)5-7(10)11-4/h5,9H,1-4H3/b6-5-.
What are the key properties of methyl (Z)-3-hydroxy-4,4-dimethylpent-2-enoate?
methyl (Z)-3-hydroxy-4,4-dimethylpent-2-enoate has a molecular weight of 158.20 g/mol, XLogP of 1.65, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-3-hydroxy-4,4-dimethylpent-2-enoate is sourced from PubChem (CID 54675983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).