methyl 3-hydroxy-2-methylpent-4-enoate

C7H12O3 — CID 15936058

IUPACmethyl 3-hydroxy-2-methylpent-4-enoate
SMILESC=CC(O)C(C)C(=O)OC
InChIInChI=1S/C7H12O3/c1-4-6(8)5(2)7(9)10-3/h4-6,8H,1H2,2-3H3
InChIKeyFCGFELSCDSTPKX-UHFFFAOYSA-N
MW144.17 g/mol
LogP0.34
Rot. Bonds3

About methyl 3-hydroxy-2-methylpent-4-enoate

methyl 3-hydroxy-2-methylpent-4-enoate (PubChem CID 15936058) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is methyl 3-hydroxy-2-methylpent-4-enoate.

Molecular Properties

Compound Namemethyl 3-hydroxy-2-methylpent-4-enoate
PubChem CID15936058
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Namemethyl 3-hydroxy-2-methylpent-4-enoate
SMILESC=CC(O)C(C)C(=O)OC
InChIInChI=1S/C7H12O3/c1-4-6(8)5(2)7(9)10-3/h4-6,8H,1H2,2-3H3
InChIKeyFCGFELSCDSTPKX-UHFFFAOYSA-N
XLogP0.34
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Ethyl 3-hydroxypent-4-enoate
CID 545575
Tert-butyl 3-hydroxypent-4-enoate
CID 11769016
tert-butyl (R)-3-hydroxypent-4-enoate
CID 10975952
3-Hydroxy-4-pentenoic acid
CID 162354
3-Methoxypent-4-enoic acid
CID 12902088
4-Pentenoic acid, 2-[(1S)-1-hydroxyethyl]-, ethyl ester, (2S)-
CID 10241258
(R)-3-Hydroxypent-4-enoic acid
CID 10844372
4-Pentenoic acid, 3-hydroxy-2,2-dimethyl-, ethyl ester
CID 11321232
Methyl 3-Hydroxy-4-pentenoate
CID 12740494
Methyl 3-hydroxy-2-methylidenepent-4-enoate
CID 13614392
Ethyl 2-ethyl-3-hydroxypent-4-enoate
CID 18539688
Tert-butyl 3-hydroxy-2-methylpent-4-enoate
CID 23372215

Frequently Asked Questions

What is the IUPAC name of methyl 3-hydroxy-2-methylpent-4-enoate?
The IUPAC name of methyl 3-hydroxy-2-methylpent-4-enoate (CID 15936058) is methyl 3-hydroxy-2-methylpent-4-enoate.
What is the SMILES notation for methyl 3-hydroxy-2-methylpent-4-enoate?
The canonical SMILES for methyl 3-hydroxy-2-methylpent-4-enoate is C=CC(O)C(C)C(=O)OC.
What is the InChIKey of methyl 3-hydroxy-2-methylpent-4-enoate?
The InChIKey is FCGFELSCDSTPKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O3/c1-4-6(8)5(2)7(9)10-3/h4-6,8H,1H2,2-3H3.
What are the key properties of methyl 3-hydroxy-2-methylpent-4-enoate?
methyl 3-hydroxy-2-methylpent-4-enoate has a molecular weight of 144.17 g/mol, XLogP of 0.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-hydroxy-2-methylpent-4-enoate is sourced from PubChem (CID 15936058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).