9-hydroxydec-1-en-4-one

C10H18O2 — CID 141421673

IUPAC9-hydroxydec-1-en-4-one
SMILESC=CCC(=O)CCCCC(C)O
InChIInChI=1S/C10H18O2/c1-3-6-10(12)8-5-4-7-9(2)11/h3,9,11H,1,4-8H2,2H3
InChIKeyDAMVTXBMZMKUDP-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.07
Rot. Bonds7

About 9-hydroxydec-1-en-4-one

9-hydroxydec-1-en-4-one (PubChem CID 141421673) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 9-hydroxydec-1-en-4-one.

Molecular Properties

Compound Name9-hydroxydec-1-en-4-one
PubChem CID141421673
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name9-hydroxydec-1-en-4-one
SMILESC=CCC(=O)CCCCC(C)O
InChIInChI=1S/C10H18O2/c1-3-6-10(12)8-5-4-7-9(2)11/h3,9,11H,1,4-8H2,2H3
InChIKeyDAMVTXBMZMKUDP-UHFFFAOYSA-N
XLogP2.07
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.07
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
(Z)-1-hydroxyhexadec-10-en-7-one
CID 13964640
(12Z,15Z)-1-Hydroxy-henicosa-12,15-dien-4-one
CID 44302161
(S)-9-Hydroxy-10-undecenoic acid
CID 73242170
8-Hydroxy-9-pentadecene-11,13-diyn-2-one, (9E)-
CID 24786360
17-Hydroxylinoleate
CID 138756162
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
1-Hydroxyhenicosa-12,15-dien-4-one
CID 49824019

Frequently Asked Questions

What is the IUPAC name of 9-hydroxydec-1-en-4-one?
The IUPAC name of 9-hydroxydec-1-en-4-one (CID 141421673) is 9-hydroxydec-1-en-4-one.
What is the SMILES notation for 9-hydroxydec-1-en-4-one?
The canonical SMILES for 9-hydroxydec-1-en-4-one is C=CCC(=O)CCCCC(C)O.
What is the InChIKey of 9-hydroxydec-1-en-4-one?
The InChIKey is DAMVTXBMZMKUDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-3-6-10(12)8-5-4-7-9(2)11/h3,9,11H,1,4-8H2,2H3.
What are the key properties of 9-hydroxydec-1-en-4-one?
9-hydroxydec-1-en-4-one has a molecular weight of 170.25 g/mol, XLogP of 2.07, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hydroxydec-1-en-4-one is sourced from PubChem (CID 141421673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).