ethyl 2-hydroxy-5-methyl-4-methylidenehex-5-enoate

C10H16O3 — CID 10888616

IUPACethyl 2-hydroxy-5-methyl-4-methylidenehex-5-enoate
SMILESC=C(C)C(=C)CC(O)C(=O)OCC
InChIInChI=1S/C10H16O3/c1-5-13-10(12)9(11)6-8(4)7(2)3/h9,11H,2,4-6H2,1,3H3
InChIKeyANOYAAKKLHLSLV-UHFFFAOYSA-N
MW184.23 g/mol
LogP1.43
Rot. Bonds5

About ethyl 2-hydroxy-5-methyl-4-methylidenehex-5-enoate

ethyl 2-hydroxy-5-methyl-4-methylidenehex-5-enoate (PubChem CID 10888616) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is ethyl 2-hydroxy-5-methyl-4-methylidenehex-5-enoate.

Molecular Properties

Compound Nameethyl 2-hydroxy-5-methyl-4-methylidenehex-5-enoate
PubChem CID10888616
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Nameethyl 2-hydroxy-5-methyl-4-methylidenehex-5-enoate
SMILESC=C(C)C(=C)CC(O)C(=O)OCC
InChIInChI=1S/C10H16O3/c1-5-13-10(12)9(11)6-8(4)7(2)3/h9,11H,2,4-6H2,1,3H3
InChIKeyANOYAAKKLHLSLV-UHFFFAOYSA-N
XLogP1.43
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Ethyl (2S)-2-hydroxy-4-methylpent-4-enoate
CID 15497658
4-Pentenoic acid, 2-hydroxy-4-methyl-, ethyl ester, (2R)-
CID 11298114
methyl (R)-2-hydroxy-4-methyl-4-pentenoate
CID 14818200
Ethyl 2-hydroxy-4-methylidenehexanoate
CID 20490670
Ethyl 2-hydroxy-4-methylpent-4-enoate
CID 72789561
methyl (2S)-3-ethenylidene-2-hydroxydecanoate
CID 10633015
Methyl 2-hydroxy-3-prop-1-enylideneheptanoate
CID 14791719
Ethyl 2-hydroxy-4-methylidenenonanoate
CID 23539729
Propan-2-yl 1-hydroxy-3-methylidenecyclopentane-1-carboxylate
CID 60145240
ethyl (2S)-2-hydroxy-4-methylidenenonanoate
CID 101081298
ethyl (E,2R,3R)-4-ethyl-2-hydroxy-3-methylhex-4-enoate
CID 101434195
methyl (2S)-2-hydroxyhept-6-enoate
CID 102114927

Frequently Asked Questions

What is the IUPAC name of ethyl 2-hydroxy-5-methyl-4-methylidenehex-5-enoate?
The IUPAC name of ethyl 2-hydroxy-5-methyl-4-methylidenehex-5-enoate (CID 10888616) is ethyl 2-hydroxy-5-methyl-4-methylidenehex-5-enoate.
What is the SMILES notation for ethyl 2-hydroxy-5-methyl-4-methylidenehex-5-enoate?
The canonical SMILES for ethyl 2-hydroxy-5-methyl-4-methylidenehex-5-enoate is C=C(C)C(=C)CC(O)C(=O)OCC.
What is the InChIKey of ethyl 2-hydroxy-5-methyl-4-methylidenehex-5-enoate?
The InChIKey is ANOYAAKKLHLSLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c1-5-13-10(12)9(11)6-8(4)7(2)3/h9,11H,2,4-6H2,1,3H3.
What are the key properties of ethyl 2-hydroxy-5-methyl-4-methylidenehex-5-enoate?
ethyl 2-hydroxy-5-methyl-4-methylidenehex-5-enoate has a molecular weight of 184.23 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-hydroxy-5-methyl-4-methylidenehex-5-enoate is sourced from PubChem (CID 10888616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).