[(E)-4-hydroxyundec-2-enyl] propanoate

C14H26O3 — CID 45142117

IUPAC[(E)-4-hydroxyundec-2-enyl] propanoate
SMILESCCCCCCCC(O)/C=C/COC(=O)CC
InChIInChI=1S/C14H26O3/c1-3-5-6-7-8-10-13(15)11-9-12-17-14(16)4-2/h9,11,13,15H,3-8,10,12H2,1-2H3/b11-9+
InChIKeyKWVBTOLFUMPWEA-PKNBQFBNSA-N
MW242.36 g/mol
LogP3.22
Rot. Bonds10

About [(E)-4-hydroxyundec-2-enyl] propanoate

[(E)-4-hydroxyundec-2-enyl] propanoate (PubChem CID 45142117) has the molecular formula C14H26O3 and a molecular weight of 242.36 g/mol. Its IUPAC name is [(E)-4-hydroxyundec-2-enyl] propanoate.

Molecular Properties

Compound Name[(E)-4-hydroxyundec-2-enyl] propanoate
PubChem CID45142117
Molecular FormulaC14H26O3
Molecular Weight242.36 g/mol
Exact Mass242.19
IUPAC Name[(E)-4-hydroxyundec-2-enyl] propanoate
SMILESCCCCCCCC(O)/C=C/COC(=O)CC
InChIInChI=1S/C14H26O3/c1-3-5-6-7-8-10-13(15)11-9-12-17-14(16)4-2/h9,11,13,15H,3-8,10,12H2,1-2H3/b11-9+
InChIKeyKWVBTOLFUMPWEA-PKNBQFBNSA-N
XLogP3.22
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxyethyl (E)-9-hydroxyoctadec-10-enoate
CID 89085788
octadec-3-en-5-ol
CID 144649733
but-2-enyl 3-decylpentadecanoate
CID 74020676
methyl 9-hydroxyhexadec-7-enoate
CID 73069311
methyl (E,12R,15S)-12,15-dihydroxydocos-13-enoate
CID 10022931
henicos-7-en-6-ol
CID 91409967
4-pentylnon-2-enyl 10-[4-(dimethylamino)butyl-[10-oxo-10-(4-pentylnon-2-enoxy)decyl]amino]decanoate
CID 123790873
4-pentylnon-2-enyl 8-[4-(dimethylamino)butyl-[8-oxo-8-(4-pentylnon-2-enoxy)octyl]amino]octanoate
CID 123963834
bis(undec-2-enyl) 7-hydroxytridecanedioate
CID 123671747
(E,4R)-non-2-ene-1,4-diol
CID 11030095
(E)-non-2-ene-1,4-diol
CID 14106146
(E,13R)-13-hydroxyoctadec-11-enoic acid
CID 56935869

Frequently Asked Questions

What is the IUPAC name of [(E)-4-hydroxyundec-2-enyl] propanoate?
The IUPAC name of [(E)-4-hydroxyundec-2-enyl] propanoate (CID 45142117) is [(E)-4-hydroxyundec-2-enyl] propanoate.
What is the SMILES notation for [(E)-4-hydroxyundec-2-enyl] propanoate?
The canonical SMILES for [(E)-4-hydroxyundec-2-enyl] propanoate is CCCCCCCC(O)/C=C/COC(=O)CC.
What is the InChIKey of [(E)-4-hydroxyundec-2-enyl] propanoate?
The InChIKey is KWVBTOLFUMPWEA-PKNBQFBNSA-N. The full InChI is InChI=1S/C14H26O3/c1-3-5-6-7-8-10-13(15)11-9-12-17-14(16)4-2/h9,11,13,15H,3-8,10,12H2,1-2H3/b11-9+.
What are the key properties of [(E)-4-hydroxyundec-2-enyl] propanoate?
[(E)-4-hydroxyundec-2-enyl] propanoate has a molecular weight of 242.36 g/mol, XLogP of 3.22, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-4-hydroxyundec-2-enyl] propanoate is sourced from PubChem (CID 45142117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).