10-(hydroxymethyl)henicos-1-en-11-one

C22H42O2 — CID 57140139

IUPAC10-(hydroxymethyl)henicos-1-en-11-one
SMILESC=CCCCCCCCC(CO)C(=O)CCCCCCCCCC
InChIInChI=1S/C22H42O2/c1-3-5-7-9-11-13-15-17-19-22(24)21(20-23)18-16-14-12-10-8-6-4-2/h4,21,23H,2-3,5-20H2,1H3
InChIKeyWHTPVDJIMREOPC-UHFFFAOYSA-N
MW338.58 g/mol
LogP6.61
Rot. Bonds19

About 10-(hydroxymethyl)henicos-1-en-11-one

10-(hydroxymethyl)henicos-1-en-11-one (PubChem CID 57140139) has the molecular formula C22H42O2 and a molecular weight of 338.58 g/mol. Its IUPAC name is 10-(hydroxymethyl)henicos-1-en-11-one.

Molecular Properties

Compound Name10-(hydroxymethyl)henicos-1-en-11-one
PubChem CID57140139
Molecular FormulaC22H42O2
Molecular Weight338.58 g/mol
Exact Mass338.32
IUPAC Name10-(hydroxymethyl)henicos-1-en-11-one
SMILESC=CCCCCCCCC(CO)C(=O)CCCCCCCCCC
InChIInChI=1S/C22H42O2/c1-3-5-7-9-11-13-15-17-19-22(24)21(20-23)18-16-14-12-10-8-6-4-2/h4,21,23H,2-3,5-20H2,1H3
InChIKeyWHTPVDJIMREOPC-UHFFFAOYSA-N
XLogP6.61
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.58
LogP ≤ 56.61
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

Lepidiumterpenoid
CID 10668972
9-Undecen-2-one, 4-hydroxy-3,6,10-trimethyl-
CID 109182
5-Hydroxy-7,11-dimethyldodec-10-en-3-one
CID 111441
(3S,7R,10R,12R,13R)-12-hydroxy-3,7,13-trimethyl-10-prop-1-en-2-ylcyclotetradecane-1,6-dione
CID 56834596
(3R,4R,6R,9R,10R,13S)-4,10-dihydroxy-3,9,13-trimethyl-6-prop-1-en-2-ylcyclotetradecan-1-one
CID 56834597
8R-Dihydroplexaurolone
CID 56834598
(3R,7R,10R,12R,13R)-12-hydroxy-3,7,13-trimethyl-10-prop-1-en-2-ylcyclotetradecane-1,6-dione
CID 14218834
(E,4R,5S,8R,12S)-5-hydroxy-4,8,12-trimethyl-1-(2,6,6-trimethylcyclohexen-1-yl)pentadec-1-en-7-one
CID 163035724
4-Hydroxy-6,10-dimethylundec-9-en-2-one
CID 24806326
Acetylricinolsaure
CID 87573641
(3S,6R,7S,8S)-1,3,7-trihydroxy-4,4,6,8-tetramethyltridec-12-en-5-one
CID 53864759
2-(1-Hydroxy-2,2-dimethylpent-4-enyl)-3-methylcyclopentan-1-one
CID 10488674

Frequently Asked Questions

What is the IUPAC name of 10-(hydroxymethyl)henicos-1-en-11-one?
The IUPAC name of 10-(hydroxymethyl)henicos-1-en-11-one (CID 57140139) is 10-(hydroxymethyl)henicos-1-en-11-one.
What is the SMILES notation for 10-(hydroxymethyl)henicos-1-en-11-one?
The canonical SMILES for 10-(hydroxymethyl)henicos-1-en-11-one is C=CCCCCCCCC(CO)C(=O)CCCCCCCCCC.
What is the InChIKey of 10-(hydroxymethyl)henicos-1-en-11-one?
The InChIKey is WHTPVDJIMREOPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H42O2/c1-3-5-7-9-11-13-15-17-19-22(24)21(20-23)18-16-14-12-10-8-6-4-2/h4,21,23H,2-3,5-20H2,1H3.
What are the key properties of 10-(hydroxymethyl)henicos-1-en-11-one?
10-(hydroxymethyl)henicos-1-en-11-one has a molecular weight of 338.58 g/mol, XLogP of 6.61, 19 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(hydroxymethyl)henicos-1-en-11-one is sourced from PubChem (CID 57140139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).