7-hydroxy-7-prop-2-enyldodecan-6-one

C15H28O2 — CID 88832433

IUPAC7-hydroxy-7-prop-2-enyldodecan-6-one
SMILESC=CCC(O)(CCCCC)C(=O)CCCCC
InChIInChI=1S/C15H28O2/c1-4-7-9-11-14(16)15(17,12-6-3)13-10-8-5-2/h6,17H,3-5,7-13H2,1-2H3
InChIKeyFSDUZYMEWGIASL-UHFFFAOYSA-N
MW240.39 g/mol
LogP4.02
Rot. Bonds11

About 7-hydroxy-7-prop-2-enyldodecan-6-one

7-hydroxy-7-prop-2-enyldodecan-6-one (PubChem CID 88832433) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is 7-hydroxy-7-prop-2-enyldodecan-6-one.

Molecular Properties

Compound Name7-hydroxy-7-prop-2-enyldodecan-6-one
PubChem CID88832433
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Name7-hydroxy-7-prop-2-enyldodecan-6-one
SMILESC=CCC(O)(CCCCC)C(=O)CCCCC
InChIInChI=1S/C15H28O2/c1-4-7-9-11-14(16)15(17,12-6-3)13-10-8-5-2/h6,17H,3-5,7-13H2,1-2H3
InChIKeyFSDUZYMEWGIASL-UHFFFAOYSA-N
XLogP4.02
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 54.02
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

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CID 87592774
3-ethyl-3-hydroxydecan-4-one
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1,2-dihydroxy-2-(hydroxymethyl)hexacosan-3-one
CID 139653095
(2-dodecanoyl-2-hydroxyhexadecyl)-methyl-dioctylazanium
CID 57224330
2-hydroxy-2-pentyloctanoic acid
CID 18462834
(2R)-2-dodecyl-2-hydroxytricosanoic acid
CID 163058779
1-chloropentane;2-hydroxy-2-prop-2-enylbutanedioic acid
CID 174507210
11-octanoyl-11-tridecyltricosane-10,12-dione
CID 141100179
2-ethyl-2-hydroxyoctadecanoic acid
CID 23182335
2-fluoro-2-prop-2-enyloctadecanoic acid
CID 87607806
azane;4,4-dimethylhenicos-1-ene;hydrochloride
CID 174854097

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-7-prop-2-enyldodecan-6-one?
The IUPAC name of 7-hydroxy-7-prop-2-enyldodecan-6-one (CID 88832433) is 7-hydroxy-7-prop-2-enyldodecan-6-one.
What is the SMILES notation for 7-hydroxy-7-prop-2-enyldodecan-6-one?
The canonical SMILES for 7-hydroxy-7-prop-2-enyldodecan-6-one is C=CCC(O)(CCCCC)C(=O)CCCCC.
What is the InChIKey of 7-hydroxy-7-prop-2-enyldodecan-6-one?
The InChIKey is FSDUZYMEWGIASL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O2/c1-4-7-9-11-14(16)15(17,12-6-3)13-10-8-5-2/h6,17H,3-5,7-13H2,1-2H3.
What are the key properties of 7-hydroxy-7-prop-2-enyldodecan-6-one?
7-hydroxy-7-prop-2-enyldodecan-6-one has a molecular weight of 240.39 g/mol, XLogP of 4.02, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-7-prop-2-enyldodecan-6-one is sourced from PubChem (CID 88832433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).