(Z)-18-hydroxytritriacont-17-en-16-one

C33H64O2 — CID 125181647

IUPAC(Z)-18-hydroxytritriacont-17-en-16-one
SMILESCCCCCCCCCCCCCCCC(=O)/C=C(\O)CCCCCCCCCCCCCCC
InChIInChI=1S/C33H64O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-32(34)31-33(35)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h31,34H,3-30H2,1-2H3/b32-31-
InChIKeyJWZJPYQQEUUEJC-MVJHLKBCSA-N
MW492.87 g/mol
LogP11.96
Rot. Bonds29

About (Z)-18-hydroxytritriacont-17-en-16-one

(Z)-18-hydroxytritriacont-17-en-16-one (PubChem CID 125181647) has the molecular formula C33H64O2 and a molecular weight of 492.87 g/mol. Its IUPAC name is (Z)-18-hydroxytritriacont-17-en-16-one.

Molecular Properties

Compound Name(Z)-18-hydroxytritriacont-17-en-16-one
PubChem CID125181647
Molecular FormulaC33H64O2
Molecular Weight492.87 g/mol
Exact Mass492.49
IUPAC Name(Z)-18-hydroxytritriacont-17-en-16-one
SMILESCCCCCCCCCCCCCCCC(=O)/C=C(\O)CCCCCCCCCCCCCCC
InChIInChI=1S/C33H64O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-32(34)31-33(35)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h31,34H,3-30H2,1-2H3/b32-31-
InChIKeyJWZJPYQQEUUEJC-MVJHLKBCSA-N
XLogP11.96
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds29
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.87
LogP ≤ 511.96
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

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(7e)-9-Oxohexadec-7-enoic acid
CID 75201659
Maesaquinone
CID 6383665
10-keto-12Z-octadecenoic acid
CID 24970825
(E)-9-oxooctadec-10-enoic Acid
CID 6443258
13-Keto-E-9-octadecenoic acid
CID 44612156
(E)-12-oxooctadec-8-enoic acid
CID 44448193
9-octadecenoic acid, 8-oxo-, (9E)-
CID 637456
12-oxo-9E-octadecenoic acid
CID 5312912
(9Z,12E)-13-Hydroxyoctadeca-9,12-dienoic acid
CID 9839164
12-Octadecenoic acid, 9-oxo-, (12Z)-
CID 14289305
11-Oxopalmitelaidic acid
CID 25051582

Frequently Asked Questions

What is the IUPAC name of (Z)-18-hydroxytritriacont-17-en-16-one?
The IUPAC name of (Z)-18-hydroxytritriacont-17-en-16-one (CID 125181647) is (Z)-18-hydroxytritriacont-17-en-16-one.
What is the SMILES notation for (Z)-18-hydroxytritriacont-17-en-16-one?
The canonical SMILES for (Z)-18-hydroxytritriacont-17-en-16-one is CCCCCCCCCCCCCCCC(=O)/C=C(\O)CCCCCCCCCCCCCCC.
What is the InChIKey of (Z)-18-hydroxytritriacont-17-en-16-one?
The InChIKey is JWZJPYQQEUUEJC-MVJHLKBCSA-N. The full InChI is InChI=1S/C33H64O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-32(34)31-33(35)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h31,34H,3-30H2,1-2H3/b32-31-.
What are the key properties of (Z)-18-hydroxytritriacont-17-en-16-one?
(Z)-18-hydroxytritriacont-17-en-16-one has a molecular weight of 492.87 g/mol, XLogP of 11.96, 29 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-18-hydroxytritriacont-17-en-16-one is sourced from PubChem (CID 125181647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).