ethyl (E)-2-hydroxy-4-methylidenehept-5-enoate

C10H16O3 — CID 10797576

IUPACethyl (E)-2-hydroxy-4-methylidenehept-5-enoate
SMILESC=C(/C=C/C)CC(O)C(=O)OCC
InChIInChI=1S/C10H16O3/c1-4-6-8(3)7-9(11)10(12)13-5-2/h4,6,9,11H,3,5,7H2,1-2H3/b6-4+
InChIKeyMYDCTJCDBAUNHK-GQCTYLIASA-N
MW184.23 g/mol
LogP1.43
Rot. Bonds5

About ethyl (E)-2-hydroxy-4-methylidenehept-5-enoate

ethyl (E)-2-hydroxy-4-methylidenehept-5-enoate (PubChem CID 10797576) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is ethyl (E)-2-hydroxy-4-methylidenehept-5-enoate.

Molecular Properties

Compound Nameethyl (E)-2-hydroxy-4-methylidenehept-5-enoate
PubChem CID10797576
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Nameethyl (E)-2-hydroxy-4-methylidenehept-5-enoate
SMILESC=C(/C=C/C)CC(O)C(=O)OCC
InChIInChI=1S/C10H16O3/c1-4-6-8(3)7-9(11)10(12)13-5-2/h4,6,9,11H,3,5,7H2,1-2H3/b6-4+
InChIKeyMYDCTJCDBAUNHK-GQCTYLIASA-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

[(Z)-oct-5-enyl] 2-hydroxybutanoate
CID 71455451
[(E)-oct-3-enyl] 2-hydroxybutanoate
CID 71460897
[(E)-oct-5-enyl] 2-hydroxybutanoate
CID 71460898
[(Z)-oct-3-enyl] 2-hydroxybutanoate
CID 71462591
[(E)-oct-4-enyl] 2-hydroxybutanoate
CID 71462592
[(Z)-oct-4-enyl] 2-hydroxybutanoate
CID 71457233
(2R,3S,5E,9R)-3,9-dihydroxy-2-propyl-2,3,4,7,8,9-hexahydrooxecin-10-one
CID 72946877
[(5Z,7E,9E,11E)-tetradeca-5,7,9,11-tetraenyl] (2R)-2-hydroxy-3-methylbutanoate
CID 162658906
3Z-Hexenyl 2R-hydroxy-3-methylbutyrate
CID 56936020
Ethyl 2-hydroxy-5-methyl-4-methylidenehex-5-enoate
CID 10888616
Ethyl (2S)-2-hydroxy-4-methylpent-4-enoate
CID 15497658
4-Pentenoic acid, 2-hydroxy-4-methyl-, ethyl ester, (2R)-
CID 11298114

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-2-hydroxy-4-methylidenehept-5-enoate?
The IUPAC name of ethyl (E)-2-hydroxy-4-methylidenehept-5-enoate (CID 10797576) is ethyl (E)-2-hydroxy-4-methylidenehept-5-enoate.
What is the SMILES notation for ethyl (E)-2-hydroxy-4-methylidenehept-5-enoate?
The canonical SMILES for ethyl (E)-2-hydroxy-4-methylidenehept-5-enoate is C=C(/C=C/C)CC(O)C(=O)OCC.
What is the InChIKey of ethyl (E)-2-hydroxy-4-methylidenehept-5-enoate?
The InChIKey is MYDCTJCDBAUNHK-GQCTYLIASA-N. The full InChI is InChI=1S/C10H16O3/c1-4-6-8(3)7-9(11)10(12)13-5-2/h4,6,9,11H,3,5,7H2,1-2H3/b6-4+.
What are the key properties of ethyl (E)-2-hydroxy-4-methylidenehept-5-enoate?
ethyl (E)-2-hydroxy-4-methylidenehept-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 (E)-2-hydroxy-4-methylidenehept-5-enoate is sourced from PubChem (CID 10797576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).