2,5-dihydroxydec-7-en-3-one

C10H18O3 — CID 159505042

IUPAC2,5-dihydroxydec-7-en-3-one
SMILESCCC=CCC(O)CC(=O)C(C)O
InChIInChI=1S/C10H18O3/c1-3-4-5-6-9(12)7-10(13)8(2)11/h4-5,8-9,11-12H,3,6-7H2,1-2H3
InChIKeyZANVFIVCHNCMSD-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.04
Rot. Bonds6

About 2,5-dihydroxydec-7-en-3-one

2,5-dihydroxydec-7-en-3-one (PubChem CID 159505042) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is 2,5-dihydroxydec-7-en-3-one.

Molecular Properties

Compound Name2,5-dihydroxydec-7-en-3-one
PubChem CID159505042
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name2,5-dihydroxydec-7-en-3-one
SMILESCCC=CCC(O)CC(=O)C(C)O
InChIInChI=1S/C10H18O3/c1-3-4-5-6-9(12)7-10(13)8(2)11/h4-5,8-9,11-12H,3,6-7H2,1-2H3
InChIKeyZANVFIVCHNCMSD-UHFFFAOYSA-N
XLogP1.04
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(E,2S,4S)-non-6-ene-2,4-diol
CID 102156036
4-ethylnon-6-en-2-one
CID 59068753
12-hydroxyheptadec-14-enoic acid
CID 169277009
17-hydroxydocos-19-enoic acid
CID 169277016
methyl 5-hydroxydec-7-enoate
CID 175764045
3-[(Z)-3-hydroxyoct-5-enoyl]oxy-4-(trimethylazaniumyl)butanoate
CID 71464491
(Z,3S)-3-(aminomethyl)-5-methyldec-7-enoic acid
CID 87482547
tert-butyl N-[(E,2R)-2-hydroxyhept-4-enyl]carbamate
CID 10489591
3-hydroxynon-6-enoic acid
CID 57374123
2-[(E)-pent-2-enyl]pentane-1,4-dione
CID 147509883
(Z,3S)-2,2-dimethyloct-5-en-3-ol
CID 158993926
(3R)-3,8-dihydroxytetradec-5-enoic acid
CID 57012260

Frequently Asked Questions

What is the IUPAC name of 2,5-dihydroxydec-7-en-3-one?
The IUPAC name of 2,5-dihydroxydec-7-en-3-one (CID 159505042) is 2,5-dihydroxydec-7-en-3-one.
What is the SMILES notation for 2,5-dihydroxydec-7-en-3-one?
The canonical SMILES for 2,5-dihydroxydec-7-en-3-one is CCC=CCC(O)CC(=O)C(C)O.
What is the InChIKey of 2,5-dihydroxydec-7-en-3-one?
The InChIKey is ZANVFIVCHNCMSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-3-4-5-6-9(12)7-10(13)8(2)11/h4-5,8-9,11-12H,3,6-7H2,1-2H3.
What are the key properties of 2,5-dihydroxydec-7-en-3-one?
2,5-dihydroxydec-7-en-3-one has a molecular weight of 186.25 g/mol, XLogP of 1.04, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dihydroxydec-7-en-3-one is sourced from PubChem (CID 159505042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).