ethyl 2-ethyl-3-hydroxy-2-methoxypent-4-enoate

C10H18O4 — CID 146164314

IUPACethyl 2-ethyl-3-hydroxy-2-methoxypent-4-enoate
SMILESC=CC(O)C(CC)(OC)C(=O)OCC
InChIInChI=1S/C10H18O4/c1-5-8(11)10(6-2,13-4)9(12)14-7-3/h5,8,11H,1,6-7H2,2-4H3
InChIKeyLNCGAJXTLNGKIX-UHFFFAOYSA-N
MW202.25 g/mol
LogP0.89
Rot. Bonds6

About ethyl 2-ethyl-3-hydroxy-2-methoxypent-4-enoate

ethyl 2-ethyl-3-hydroxy-2-methoxypent-4-enoate (PubChem CID 146164314) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is ethyl 2-ethyl-3-hydroxy-2-methoxypent-4-enoate.

Molecular Properties

Compound Nameethyl 2-ethyl-3-hydroxy-2-methoxypent-4-enoate
PubChem CID146164314
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Nameethyl 2-ethyl-3-hydroxy-2-methoxypent-4-enoate
SMILESC=CC(O)C(CC)(OC)C(=O)OCC
InChIInChI=1S/C10H18O4/c1-5-8(11)10(6-2,13-4)9(12)14-7-3/h5,8,11H,1,6-7H2,2-4H3
InChIKeyLNCGAJXTLNGKIX-UHFFFAOYSA-N
XLogP0.89
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,6-Heptadiene-4-carboxylic acid, 4-hydroxy-, ethyl ester
CID 549745
ethyl (2R,3R)-3-hydroxy-2-prop-2-enoxypent-4-enoate
CID 57723946
ethyl (2R,3S)-3-hydroxy-2-prop-2-enoxypent-4-enoate
CID 57723967
methyl (2S)-2-hydroxy-2-(hydroxymethyl)pent-4-enoate
CID 101271098
methyl (2R)-2-hydroxy-2-[(1S)-1-hydroxy-2-methylpropyl]pent-4-enoate
CID 101412857
Propan-2-yl 2-ethenyl-2-hydroxypent-4-enoate
CID 176427686
2-Allyloxy-3-hydroxypent-4-enoic acid ethyl ester
CID 10465389
Prop-2-enyl 2-hydroxy-2-(hydroxymethyl)pent-4-enoate
CID 20097429
Tert-butyl 3-hydroxy-2-prop-2-enylpent-4-enoate
CID 23372209
2,3-Di(propan-2-yloxy)-2-(1,1,2-tritritioprop-2-enyl)butanedioic acid
CID 53669238
2-(Hydroxymethyl)-2-prop-2-enoxypent-4-enoic acid
CID 53814963
3-Methyl-2-prop-2-enyloxirane-2-carboxylic acid
CID 54200607

Frequently Asked Questions

What is the IUPAC name of ethyl 2-ethyl-3-hydroxy-2-methoxypent-4-enoate?
The IUPAC name of ethyl 2-ethyl-3-hydroxy-2-methoxypent-4-enoate (CID 146164314) is ethyl 2-ethyl-3-hydroxy-2-methoxypent-4-enoate.
What is the SMILES notation for ethyl 2-ethyl-3-hydroxy-2-methoxypent-4-enoate?
The canonical SMILES for ethyl 2-ethyl-3-hydroxy-2-methoxypent-4-enoate is C=CC(O)C(CC)(OC)C(=O)OCC.
What is the InChIKey of ethyl 2-ethyl-3-hydroxy-2-methoxypent-4-enoate?
The InChIKey is LNCGAJXTLNGKIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4/c1-5-8(11)10(6-2,13-4)9(12)14-7-3/h5,8,11H,1,6-7H2,2-4H3.
What are the key properties of ethyl 2-ethyl-3-hydroxy-2-methoxypent-4-enoate?
ethyl 2-ethyl-3-hydroxy-2-methoxypent-4-enoate has a molecular weight of 202.25 g/mol, XLogP of 0.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-ethyl-3-hydroxy-2-methoxypent-4-enoate is sourced from PubChem (CID 146164314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).