(E)-7-hydroxy-8,8-dimethylnon-5-en-4-one

C11H20O2 — CID 24977919

IUPAC(E)-7-hydroxy-8,8-dimethylnon-5-en-4-one
SMILESCCCC(=O)/C=C/C(O)C(C)(C)C
InChIInChI=1S/C11H20O2/c1-5-6-9(12)7-8-10(13)11(2,3)4/h7-8,10,13H,5-6H2,1-4H3/b8-7+
InChIKeyINXRMWCFDSGTCN-BQYQJAHWSA-N
MW184.28 g/mol
LogP2.32
Rot. Bonds4

About (E)-7-hydroxy-8,8-dimethylnon-5-en-4-one

(E)-7-hydroxy-8,8-dimethylnon-5-en-4-one (PubChem CID 24977919) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is (E)-7-hydroxy-8,8-dimethylnon-5-en-4-one.

Molecular Properties

Compound Name(E)-7-hydroxy-8,8-dimethylnon-5-en-4-one
PubChem CID24977919
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name(E)-7-hydroxy-8,8-dimethylnon-5-en-4-one
SMILESCCCC(=O)/C=C/C(O)C(C)(C)C
InChIInChI=1S/C11H20O2/c1-5-6-9(12)7-8-10(13)11(2,3)4/h7-8,10,13H,5-6H2,1-4H3/b8-7+
InChIKeyINXRMWCFDSGTCN-BQYQJAHWSA-N
XLogP2.32
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-7-hydroxy-7-methyloct-5-en-4-one
CID 10997282
(Z)-1-[[(Z)-3-oxohex-1-enyl]amino]hex-1-en-3-one
CID 131852545
(Z)-1-[(Z)-3-oxohex-1-enyl]sulfanylhex-1-en-3-one
CID 92858248
(Z,3S)-2,2-dimethylnon-4-en-3-ol
CID 129365171
(E,3R)-2,2-dimethylhex-4-en-3-ol
CID 11446339
(5E,7E,9E)-10-chlorodeca-5,7,9-trien-4-one
CID 15455933
ethyl 4-oxohept-2-enoate
CID 71425644
5-hydroxyhept-3-en-2-one
CID 74046190
(E,9S)-9-hydroxy-12-oxooctadec-10-enoic acid
CID 92966010
(E,12S)-12-methyltetradec-5-en-4-one
CID 122480212
(2Z,4E)-2-hydroxy-6-oxonona-2,4-dienoic acid
CID 20839721
(11E,15Z)-13-hydroxy-10-oxooctadeca-11,15-dienoic acid
CID 59931979

Frequently Asked Questions

What is the IUPAC name of (E)-7-hydroxy-8,8-dimethylnon-5-en-4-one?
The IUPAC name of (E)-7-hydroxy-8,8-dimethylnon-5-en-4-one (CID 24977919) is (E)-7-hydroxy-8,8-dimethylnon-5-en-4-one.
What is the SMILES notation for (E)-7-hydroxy-8,8-dimethylnon-5-en-4-one?
The canonical SMILES for (E)-7-hydroxy-8,8-dimethylnon-5-en-4-one is CCCC(=O)/C=C/C(O)C(C)(C)C.
What is the InChIKey of (E)-7-hydroxy-8,8-dimethylnon-5-en-4-one?
The InChIKey is INXRMWCFDSGTCN-BQYQJAHWSA-N. The full InChI is InChI=1S/C11H20O2/c1-5-6-9(12)7-8-10(13)11(2,3)4/h7-8,10,13H,5-6H2,1-4H3/b8-7+.
What are the key properties of (E)-7-hydroxy-8,8-dimethylnon-5-en-4-one?
(E)-7-hydroxy-8,8-dimethylnon-5-en-4-one has a molecular weight of 184.28 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-7-hydroxy-8,8-dimethylnon-5-en-4-one is sourced from PubChem (CID 24977919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).