(E)-10-hydroxy-2,6-dimethyldec-3-en-5-one

C12H22O2 — CID 10352717

IUPAC(E)-10-hydroxy-2,6-dimethyldec-3-en-5-one
SMILESCC(C)/C=C/C(=O)C(C)CCCCO
InChIInChI=1S/C12H22O2/c1-10(2)7-8-12(14)11(3)6-4-5-9-13/h7-8,10-11,13H,4-6,9H2,1-3H3/b8-7+
InChIKeyOJGFNXINDWTNRC-BQYQJAHWSA-N
MW198.31 g/mol
LogP2.57
Rot. Bonds7

About (E)-10-hydroxy-2,6-dimethyldec-3-en-5-one

(E)-10-hydroxy-2,6-dimethyldec-3-en-5-one (PubChem CID 10352717) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is (E)-10-hydroxy-2,6-dimethyldec-3-en-5-one.

Molecular Properties

Compound Name(E)-10-hydroxy-2,6-dimethyldec-3-en-5-one
PubChem CID10352717
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name(E)-10-hydroxy-2,6-dimethyldec-3-en-5-one
SMILESCC(C)/C=C/C(=O)C(C)CCCCO
InChIInChI=1S/C12H22O2/c1-10(2)7-8-12(14)11(3)6-4-5-9-13/h7-8,10-11,13H,4-6,9H2,1-3H3/b8-7+
InChIKeyOJGFNXINDWTNRC-BQYQJAHWSA-N
XLogP2.57
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2S)-6-hydroxy-2-methylhexanal
CID 129362666
(E)-2,6-dimethylhept-4-en-3-one;2,4-dimethylpentan-3-one
CID 161014897
11-hydroxy-4-methylundeca-1,6-dien-5-one
CID 88845718
(2-methoxy-2-oxoethyl) 6-hydroxy-2-methylhexanoate
CID 123290772
4-methylnon-1-en-3-one
CID 24974485
9-hydroxy-2-methylnonanal
CID 140839746
15-hydroxy-2-methylpentadecanal
CID 140839749
8-methylnonan-1-ol;prop-2-enoic acid
CID 175073761
(E)-7-methyldec-8-en-1-ol
CID 87112464
(Z)-6-methylhept-4-en-1-ol
CID 13494537
[2-(dimethylamino)-2-oxoethyl] 6-hydroxy-2-methylhexanoate
CID 123472845
1-(4,8-dihydroxy-3-oxooct-1-enoxy)-4,8-dihydroxyoct-1-en-3-one
CID 90719390

Frequently Asked Questions

What is the IUPAC name of (E)-10-hydroxy-2,6-dimethyldec-3-en-5-one?
The IUPAC name of (E)-10-hydroxy-2,6-dimethyldec-3-en-5-one (CID 10352717) is (E)-10-hydroxy-2,6-dimethyldec-3-en-5-one.
What is the SMILES notation for (E)-10-hydroxy-2,6-dimethyldec-3-en-5-one?
The canonical SMILES for (E)-10-hydroxy-2,6-dimethyldec-3-en-5-one is CC(C)/C=C/C(=O)C(C)CCCCO.
What is the InChIKey of (E)-10-hydroxy-2,6-dimethyldec-3-en-5-one?
The InChIKey is OJGFNXINDWTNRC-BQYQJAHWSA-N. The full InChI is InChI=1S/C12H22O2/c1-10(2)7-8-12(14)11(3)6-4-5-9-13/h7-8,10-11,13H,4-6,9H2,1-3H3/b8-7+.
What are the key properties of (E)-10-hydroxy-2,6-dimethyldec-3-en-5-one?
(E)-10-hydroxy-2,6-dimethyldec-3-en-5-one has a molecular weight of 198.31 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-10-hydroxy-2,6-dimethyldec-3-en-5-one is sourced from PubChem (CID 10352717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).