(4E)-4-methylnona-4,8-dien-3-one

C10H16O — CID 20501818

IUPAC(4E)-4-methylnona-4,8-dien-3-one
SMILESC=CCC/C=C(\C)C(=O)CC
InChIInChI=1S/C10H16O/c1-4-6-7-8-9(3)10(11)5-2/h4,8H,1,5-7H2,2-3H3/b9-8+
InChIKeyYDSHVJZIMROKNP-CMDGGOBGSA-N
MW152.24 g/mol
LogP2.88
Rot. Bonds5

About (4E)-4-methylnona-4,8-dien-3-one

(4E)-4-methylnona-4,8-dien-3-one (PubChem CID 20501818) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is (4E)-4-methylnona-4,8-dien-3-one.

Molecular Properties

Compound Name(4E)-4-methylnona-4,8-dien-3-one
PubChem CID20501818
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name(4E)-4-methylnona-4,8-dien-3-one
SMILESC=CCC/C=C(\C)C(=O)CC
InChIInChI=1S/C10H16O/c1-4-6-7-8-9(3)10(11)5-2/h4,8H,1,5-7H2,2-3H3/b9-8+
InChIKeyYDSHVJZIMROKNP-CMDGGOBGSA-N
XLogP2.88
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(4E)-4,8-dimethylnona-4,8-dien-3-one
CID 20501743
methyl 2-methylhepta-2,6-dienoate
CID 54478570
(5-hydroxy-2-methylpent-2-enoyl) 2-methylhexa-2,5-dienoate
CID 173366431
methyl 4-methylnona-4,8-dienoate
CID 71333092
S-pyrrolidin-1-yl (2Z)-2-methylhepta-2,6-dienethioate
CID 121012499
4-ethylidene-5,9-dimethylundeca-5,10-dien-3-one
CID 91338439
buta-1,3-diene;(E)-2-methylhept-2-enoic acid
CID 87527009
(3E)-3-ethylocta-3,7-dien-2-ol
CID 88713488
non-8-en-4-one
CID 11137251
7-ethyl-8-methylnona-1,7-diene
CID 174916778
10-methylundeca-1,5,9-triene
CID 71330376
(E)-3-methyl-4-oxohex-2-enal
CID 59030233

Frequently Asked Questions

What is the IUPAC name of (4E)-4-methylnona-4,8-dien-3-one?
The IUPAC name of (4E)-4-methylnona-4,8-dien-3-one (CID 20501818) is (4E)-4-methylnona-4,8-dien-3-one.
What is the SMILES notation for (4E)-4-methylnona-4,8-dien-3-one?
The canonical SMILES for (4E)-4-methylnona-4,8-dien-3-one is C=CCC/C=C(\C)C(=O)CC.
What is the InChIKey of (4E)-4-methylnona-4,8-dien-3-one?
The InChIKey is YDSHVJZIMROKNP-CMDGGOBGSA-N. The full InChI is InChI=1S/C10H16O/c1-4-6-7-8-9(3)10(11)5-2/h4,8H,1,5-7H2,2-3H3/b9-8+.
What are the key properties of (4E)-4-methylnona-4,8-dien-3-one?
(4E)-4-methylnona-4,8-dien-3-one has a molecular weight of 152.24 g/mol, XLogP of 2.88, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-methylnona-4,8-dien-3-one is sourced from PubChem (CID 20501818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).