(E)-2-methylnon-7-en-3-one

C10H18O — CID 88707157

IUPAC(E)-2-methylnon-7-en-3-one
SMILESC/C=C/CCCC(=O)C(C)C
InChIInChI=1S/C10H18O/c1-4-5-6-7-8-10(11)9(2)3/h4-5,9H,6-8H2,1-3H3/b5-4+
InChIKeyKEXMJUXKLJLABH-SNAWJCMRSA-N
MW154.25 g/mol
LogP2.96
Rot. Bonds5

About (E)-2-methylnon-7-en-3-one

(E)-2-methylnon-7-en-3-one (PubChem CID 88707157) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is (E)-2-methylnon-7-en-3-one.

Molecular Properties

Compound Name(E)-2-methylnon-7-en-3-one
PubChem CID88707157
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name(E)-2-methylnon-7-en-3-one
SMILESC/C=C/CCCC(=O)C(C)C
InChIInChI=1S/C10H18O/c1-4-5-6-7-8-10(11)9(2)3/h4-5,9H,6-8H2,1-3H3/b5-4+
InChIKeyKEXMJUXKLJLABH-SNAWJCMRSA-N
XLogP2.96
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.96
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'}

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Related Compounds

(7Z,11Z,15Z,19Z)-2-methylpentacosa-7,11,15,19-tetraen-3-one
CID 140679119
(E)-2-methyldodec-8-en-3-one
CID 176585053
(7Z,10Z,13Z,16Z,19Z)-2-methyldocosa-7,10,13,16,19-pentaen-3-one;(6Z,9Z,12Z,15Z,18Z,21Z)-2-methyltetracosa-6,9,12,15,18,21-hexaen-3-one
CID 159107554
2-methyl-3-oxodec-8-enamide
CID 172994116
(E)-hept-5-enamide
CID 18415105
(2E,12E)-8-(dimethylamino)tetradeca-2,12-dien-7-one
CID 15416354
1-hydroxyethyl (Z)-hept-5-enoate
CID 142426639
non-7-en-3-one
CID 56994302
sodium;hept-5-enoic acid;hydride
CID 174384913
2-methyl-7-(2-methylpropylimino)heptan-3-one
CID 122676926
6-bromo-2-methylhexan-3-one
CID 12643721
2-methylheptan-3-one;hydrate
CID 176897102

Frequently Asked Questions

What is the IUPAC name of (E)-2-methylnon-7-en-3-one?
The IUPAC name of (E)-2-methylnon-7-en-3-one (CID 88707157) is (E)-2-methylnon-7-en-3-one.
What is the SMILES notation for (E)-2-methylnon-7-en-3-one?
The canonical SMILES for (E)-2-methylnon-7-en-3-one is C/C=C/CCCC(=O)C(C)C.
What is the InChIKey of (E)-2-methylnon-7-en-3-one?
The InChIKey is KEXMJUXKLJLABH-SNAWJCMRSA-N. The full InChI is InChI=1S/C10H18O/c1-4-5-6-7-8-10(11)9(2)3/h4-5,9H,6-8H2,1-3H3/b5-4+.
What are the key properties of (E)-2-methylnon-7-en-3-one?
(E)-2-methylnon-7-en-3-one has a molecular weight of 154.25 g/mol, XLogP of 2.96, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methylnon-7-en-3-one is sourced from PubChem (CID 88707157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).