17-hydroxy-2,6,10,14-tetramethyldotriacont-14-en-16-one

C36H70O2 — CID 57202060

IUPAC17-hydroxy-2,6,10,14-tetramethyldotriacont-14-en-16-one
SMILESCCCCCCCCCCCCCCCC(O)C(=O)C=C(C)CCCC(C)CCCC(C)CCCC(C)C
InChIInChI=1S/C36H70O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-29-35(37)36(38)30-34(6)28-22-27-33(5)26-21-25-32(4)24-20-23-31(2)3/h30-33,35,37H,7-29H2,1-6H3
InChIKeySZNDSZHWYRRROU-UHFFFAOYSA-N
MW534.95 g/mol
LogP11.78
Rot. Bonds28

About 17-hydroxy-2,6,10,14-tetramethyldotriacont-14-en-16-one

17-hydroxy-2,6,10,14-tetramethyldotriacont-14-en-16-one (PubChem CID 57202060) has the molecular formula C36H70O2 and a molecular weight of 534.95 g/mol. Its IUPAC name is 17-hydroxy-2,6,10,14-tetramethyldotriacont-14-en-16-one.

Molecular Properties

Compound Name17-hydroxy-2,6,10,14-tetramethyldotriacont-14-en-16-one
PubChem CID57202060
Molecular FormulaC36H70O2
Molecular Weight534.95 g/mol
Exact Mass534.54
IUPAC Name17-hydroxy-2,6,10,14-tetramethyldotriacont-14-en-16-one
SMILESCCCCCCCCCCCCCCCC(O)C(=O)C=C(C)CCCC(C)CCCC(C)CCCC(C)C
InChIInChI=1S/C36H70O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-29-35(37)36(38)30-34(6)28-22-27-33(5)26-21-25-32(4)24-20-23-31(2)3/h30-33,35,37H,7-29H2,1-6H3
InChIKeySZNDSZHWYRRROU-UHFFFAOYSA-N
XLogP11.78
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds28
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.95
LogP ≤ 511.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-hydroxy-7,11,15,19-tetramethylicosa-2,6-dien-5-one
CID 57023975
germane;(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enoic acid
CID 174380036
indigane;(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enoic acid
CID 174327196
(E)-3,7,11,15-tetramethylhexadec-2-enoyl bromide
CID 175222711
CID 170924185
CID 170924185
lithium;(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enoic acid;bromide
CID 174970117
2,6-dimethyltridecane
CID 524061
2,6-dimethyltriacontane
CID 526581
2,6-dimethylicosane
CID 54262109
2,6,10-trimethyldocosane
CID 175986851
(E)-N-(1-hydroxypropyl)-3,7,11,15-tetramethylhexadec-2-enamide
CID 88643116
(2Z,6Z)-3,7,11-trimethyldocosa-2,6-dienoic acid
CID 131839736

Frequently Asked Questions

What is the IUPAC name of 17-hydroxy-2,6,10,14-tetramethyldotriacont-14-en-16-one?
The IUPAC name of 17-hydroxy-2,6,10,14-tetramethyldotriacont-14-en-16-one (CID 57202060) is 17-hydroxy-2,6,10,14-tetramethyldotriacont-14-en-16-one.
What is the SMILES notation for 17-hydroxy-2,6,10,14-tetramethyldotriacont-14-en-16-one?
The canonical SMILES for 17-hydroxy-2,6,10,14-tetramethyldotriacont-14-en-16-one is CCCCCCCCCCCCCCCC(O)C(=O)C=C(C)CCCC(C)CCCC(C)CCCC(C)C.
What is the InChIKey of 17-hydroxy-2,6,10,14-tetramethyldotriacont-14-en-16-one?
The InChIKey is SZNDSZHWYRRROU-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H70O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-29-35(37)36(38)30-34(6)28-22-27-33(5)26-21-25-32(4)24-20-23-31(2)3/h30-33,35,37H,7-29H2,1-6H3.
What are the key properties of 17-hydroxy-2,6,10,14-tetramethyldotriacont-14-en-16-one?
17-hydroxy-2,6,10,14-tetramethyldotriacont-14-en-16-one has a molecular weight of 534.95 g/mol, XLogP of 11.78, 28 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 17-hydroxy-2,6,10,14-tetramethyldotriacont-14-en-16-one is sourced from PubChem (CID 57202060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).