(5E,7E)-4-hydroxynona-5,7-dien-2-one

C9H14O2 — CID 10176228

IUPAC(5E,7E)-4-hydroxynona-5,7-dien-2-one
SMILESC/C=C/C=C/C(O)CC(C)=O
InChIInChI=1S/C9H14O2/c1-3-4-5-6-9(11)7-8(2)10/h3-6,9,11H,7H2,1-2H3/b4-3+,6-5+
InChIKeyGJJWWGQYXYPBSB-VNKDHWASSA-N
MW154.21 g/mol
LogP1.46
Rot. Bonds4

About (5E,7E)-4-hydroxynona-5,7-dien-2-one

(5E,7E)-4-hydroxynona-5,7-dien-2-one (PubChem CID 10176228) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is (5E,7E)-4-hydroxynona-5,7-dien-2-one.

Molecular Properties

Compound Name(5E,7E)-4-hydroxynona-5,7-dien-2-one
PubChem CID10176228
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name(5E,7E)-4-hydroxynona-5,7-dien-2-one
SMILESC/C=C/C=C/C(O)CC(C)=O
InChIInChI=1S/C9H14O2/c1-3-4-5-6-9(11)7-8(2)10/h3-6,9,11H,7H2,1-2H3/b4-3+,6-5+
InChIKeyGJJWWGQYXYPBSB-VNKDHWASSA-N
XLogP1.46
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(5E,10E,12E)-8,8-difluoro-9-hydroxytetradeca-5,10,12-trien-7-one
CID 71720467
Cyclohelminthol I
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(2E,6R)-6-hydroxyocta-2,7-dien-4-one
CID 162937710
(4E,6E)-3-hydroxydeca-4,6-dienoic acid
CID 91972205
Myrothin B
CID 170988340
Isotretinoin Impurity 18
CID 11218067
1-(6-Hydroxycyclohexa-2,4-dien-1-yl)ethanone
CID 46835418
2-Acetyldihydroresorcinol
CID 129651663
(4E,6E)-3-hydroxydeca-4,6-dienoate
CID 91972206
8,8-Difluoro-9-hydroxytetradeca-5,10,12-trien-7-one
CID 78158041
(7Z,9E)-9-fluoro-6-hydroxydodeca-7,9-dien-4-one
CID 169958328
(7E)-6-hydroxy-7-nonen-4-one
CID 12451637

Frequently Asked Questions

What is the IUPAC name of (5E,7E)-4-hydroxynona-5,7-dien-2-one?
The IUPAC name of (5E,7E)-4-hydroxynona-5,7-dien-2-one (CID 10176228) is (5E,7E)-4-hydroxynona-5,7-dien-2-one.
What is the SMILES notation for (5E,7E)-4-hydroxynona-5,7-dien-2-one?
The canonical SMILES for (5E,7E)-4-hydroxynona-5,7-dien-2-one is C/C=C/C=C/C(O)CC(C)=O.
What is the InChIKey of (5E,7E)-4-hydroxynona-5,7-dien-2-one?
The InChIKey is GJJWWGQYXYPBSB-VNKDHWASSA-N. The full InChI is InChI=1S/C9H14O2/c1-3-4-5-6-9(11)7-8(2)10/h3-6,9,11H,7H2,1-2H3/b4-3+,6-5+.
What are the key properties of (5E,7E)-4-hydroxynona-5,7-dien-2-one?
(5E,7E)-4-hydroxynona-5,7-dien-2-one has a molecular weight of 154.21 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E,7E)-4-hydroxynona-5,7-dien-2-one is sourced from PubChem (CID 10176228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).