3-hydroxyundec-1-en-5-one

C11H20O2 — CID 13031996

IUPAC3-hydroxyundec-1-en-5-one
SMILESC=CC(O)CC(=O)CCCCCC
InChIInChI=1S/C11H20O2/c1-3-5-6-7-8-11(13)9-10(12)4-2/h4,10,12H,2-3,5-9H2,1H3
InChIKeyZBIUIGRWRLSQAV-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.46
Rot. Bonds8

About 3-hydroxyundec-1-en-5-one

3-hydroxyundec-1-en-5-one (PubChem CID 13031996) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 3-hydroxyundec-1-en-5-one.

Molecular Properties

Compound Name3-hydroxyundec-1-en-5-one
PubChem CID13031996
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name3-hydroxyundec-1-en-5-one
SMILESC=CC(O)CC(=O)CCCCCC
InChIInChI=1S/C11H20O2/c1-3-5-6-7-8-11(13)9-10(12)4-2/h4,10,12H,2-3,5-9H2,1H3
InChIKeyZBIUIGRWRLSQAV-UHFFFAOYSA-N
XLogP2.46
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.46
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

9-hydroxyundec-10-enoic Acid
CID 10465398
(8R,9Z,12Z)-8-hydroxy-6-oxooctadeca-9,12-dienoic acid
CID 46937061
(S)-9-Hydroxy-10-undecenoic acid
CID 73242170
8-Hydroxy-9-pentadecene-11,13-diyn-2-one, (9E)-
CID 24786360
8-Hydroxypentadeca-9,13-dien-11-yn-2-one
CID 86163333
(E,8R)-8-hydroxypentadec-9-en-11,13-diyn-2-one
CID 121489413
(5S)-5-hydroxyhexacos-1-en-3-one
CID 162843320
(8R,9E,13Z)-8-hydroxypentadeca-9,13-dien-11-yn-2-one
CID 162851888
(37S)-37-hydroxyhexatetracont-1-en-15-one
CID 163006727
5-Hydroxyhexacos-1-en-3-one
CID 10430764
4-Hydroxy-3-methylidenenonan-2-one
CID 11457923
7-Oxo-11-dodecen-3-ol
CID 14752697

Frequently Asked Questions

What is the IUPAC name of 3-hydroxyundec-1-en-5-one?
The IUPAC name of 3-hydroxyundec-1-en-5-one (CID 13031996) is 3-hydroxyundec-1-en-5-one.
What is the SMILES notation for 3-hydroxyundec-1-en-5-one?
The canonical SMILES for 3-hydroxyundec-1-en-5-one is C=CC(O)CC(=O)CCCCCC.
What is the InChIKey of 3-hydroxyundec-1-en-5-one?
The InChIKey is ZBIUIGRWRLSQAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-3-5-6-7-8-11(13)9-10(12)4-2/h4,10,12H,2-3,5-9H2,1H3.
What are the key properties of 3-hydroxyundec-1-en-5-one?
3-hydroxyundec-1-en-5-one has a molecular weight of 184.28 g/mol, XLogP of 2.46, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxyundec-1-en-5-one is sourced from PubChem (CID 13031996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).