(Z)-7-hydroxyhexacos-7-en-9-one

C26H50O2 — CID 122377980

IUPAC(Z)-7-hydroxyhexacos-7-en-9-one
SMILESCCCCCCCCCCCCCCCCCC(=O)/C=C(\O)CCCCCC
InChIInChI=1S/C26H50O2/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-21-23-26(28)24-25(27)22-20-8-6-4-2/h24,27H,3-23H2,1-2H3/b25-24-
InChIKeyJUZVDDMWUFHLJK-IZHYLOQSSA-N
MW394.68 g/mol
LogP9.23
Rot. Bonds22

About (Z)-7-hydroxyhexacos-7-en-9-one

(Z)-7-hydroxyhexacos-7-en-9-one (PubChem CID 122377980) has the molecular formula C26H50O2 and a molecular weight of 394.68 g/mol. Its IUPAC name is (Z)-7-hydroxyhexacos-7-en-9-one.

Molecular Properties

Compound Name(Z)-7-hydroxyhexacos-7-en-9-one
PubChem CID122377980
Molecular FormulaC26H50O2
Molecular Weight394.68 g/mol
Exact Mass394.38
IUPAC Name(Z)-7-hydroxyhexacos-7-en-9-one
SMILESCCCCCCCCCCCCCCCCCC(=O)/C=C(\O)CCCCCC
InChIInChI=1S/C26H50O2/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-21-23-26(28)24-25(27)22-20-8-6-4-2/h24,27H,3-23H2,1-2H3/b25-24-
InChIKeyJUZVDDMWUFHLJK-IZHYLOQSSA-N
XLogP9.23
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds22
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.68
LogP ≤ 59.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-11-hydroxynonadec-10-en-9-one
CID 58983053
(Z)-11-hydroxy-9-oxodocos-10-enoic acid
CID 10044557
(Z)-12-methylhenicos-11-en-10-one
CID 122379193
(7E,9E)-henicosa-7,9-diene-6,11-dione
CID 56936226
methyl 3-hydroxyoct-2-enoate
CID 139933241
(Z)-pentadec-2-en-3-ol
CID 141060609
2-methyl-4-oxotridec-2-enamide
CID 141089964
nonadec-1-en-3-one
CID 3326465
tritriacont-1-en-3-one
CID 153436316
4-hydroxyicos-3-enoic acid
CID 88697964
1-N',9-N'-di(heptanoyl)nonanedihydrazide
CID 154340616
N-decanoyldecanamide
CID 87914075

Frequently Asked Questions

What is the IUPAC name of (Z)-7-hydroxyhexacos-7-en-9-one?
The IUPAC name of (Z)-7-hydroxyhexacos-7-en-9-one (CID 122377980) is (Z)-7-hydroxyhexacos-7-en-9-one.
What is the SMILES notation for (Z)-7-hydroxyhexacos-7-en-9-one?
The canonical SMILES for (Z)-7-hydroxyhexacos-7-en-9-one is CCCCCCCCCCCCCCCCCC(=O)/C=C(\O)CCCCCC.
What is the InChIKey of (Z)-7-hydroxyhexacos-7-en-9-one?
The InChIKey is JUZVDDMWUFHLJK-IZHYLOQSSA-N. The full InChI is InChI=1S/C26H50O2/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-21-23-26(28)24-25(27)22-20-8-6-4-2/h24,27H,3-23H2,1-2H3/b25-24-.
What are the key properties of (Z)-7-hydroxyhexacos-7-en-9-one?
(Z)-7-hydroxyhexacos-7-en-9-one has a molecular weight of 394.68 g/mol, XLogP of 9.23, 22 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-7-hydroxyhexacos-7-en-9-one is sourced from PubChem (CID 122377980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).