9-ethenyl-9-hydroxytetradecan-7-one

C16H30O2 — CID 90778722

IUPAC9-ethenyl-9-hydroxytetradecan-7-one
SMILESC=CC(O)(CCCCC)CC(=O)CCCCCC
InChIInChI=1S/C16H30O2/c1-4-7-9-10-12-15(17)14-16(18,6-3)13-11-8-5-2/h6,18H,3-5,7-14H2,1-2H3
InChIKeySLOYZTYIPYSDKT-UHFFFAOYSA-N
MW254.41 g/mol
LogP4.41
Rot. Bonds12

About 9-ethenyl-9-hydroxytetradecan-7-one

9-ethenyl-9-hydroxytetradecan-7-one (PubChem CID 90778722) has the molecular formula C16H30O2 and a molecular weight of 254.41 g/mol. Its IUPAC name is 9-ethenyl-9-hydroxytetradecan-7-one.

Molecular Properties

Compound Name9-ethenyl-9-hydroxytetradecan-7-one
PubChem CID90778722
Molecular FormulaC16H30O2
Molecular Weight254.41 g/mol
Exact Mass254.22
IUPAC Name9-ethenyl-9-hydroxytetradecan-7-one
SMILESC=CC(O)(CCCCC)CC(=O)CCCCCC
InChIInChI=1S/C16H30O2/c1-4-7-9-10-12-15(17)14-16(18,6-3)13-11-8-5-2/h6,18H,3-5,7-14H2,1-2H3
InChIKeySLOYZTYIPYSDKT-UHFFFAOYSA-N
XLogP4.41
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.41
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

(R)-4-Hexadecyl-4-hydroxy-cyclopent-2-enone
CID 44386706
14-Hydroxy-14-methylhexadec-15-enoic acid
CID 551267
3-Ethyl-3-hydroxynon-1-en-4-one
CID 91012435
6-Ethyl-6-hydroxyoct-7-en-3-one
CID 10678750
2-Ethenyl-2-hydroxycyclododecan-1-one
CID 86001279
4-Hydroxy-4-octylcyclopent-2-en-1-one
CID 13767758
3-Ethyl-3-hydroxy-7-methylnon-1-en-5-one
CID 21079516
10-(Hydroxymethyl)henicos-1-en-11-one
CID 57140139
7-Ethenyl-7-hydroxydodecanal
CID 57148891
(7E)-14-hydroxy-14-methylcyclopentadec-7-en-1-one
CID 69731424
(7Z)-14-hydroxy-14-methylcyclopentadec-7-en-1-one
CID 69731426
14-Hydroxy-14-methylcyclopentadec-7-en-1-one
CID 69731428

Frequently Asked Questions

What is the IUPAC name of 9-ethenyl-9-hydroxytetradecan-7-one?
The IUPAC name of 9-ethenyl-9-hydroxytetradecan-7-one (CID 90778722) is 9-ethenyl-9-hydroxytetradecan-7-one.
What is the SMILES notation for 9-ethenyl-9-hydroxytetradecan-7-one?
The canonical SMILES for 9-ethenyl-9-hydroxytetradecan-7-one is C=CC(O)(CCCCC)CC(=O)CCCCCC.
What is the InChIKey of 9-ethenyl-9-hydroxytetradecan-7-one?
The InChIKey is SLOYZTYIPYSDKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O2/c1-4-7-9-10-12-15(17)14-16(18,6-3)13-11-8-5-2/h6,18H,3-5,7-14H2,1-2H3.
What are the key properties of 9-ethenyl-9-hydroxytetradecan-7-one?
9-ethenyl-9-hydroxytetradecan-7-one has a molecular weight of 254.41 g/mol, XLogP of 4.41, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethenyl-9-hydroxytetradecan-7-one is sourced from PubChem (CID 90778722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).