(E)-2-methyldodec-8-en-3-one

C13H24O — CID 176585053

IUPAC(E)-2-methyldodec-8-en-3-one
SMILESCCC/C=C/CCCCC(=O)C(C)C
InChIInChI=1S/C13H24O/c1-4-5-6-7-8-9-10-11-13(14)12(2)3/h6-7,12H,4-5,8-11H2,1-3H3/b7-6+
InChIKeyBKZLPWGXSIPHAR-VOTSOKGWSA-N
MW196.33 g/mol
LogP4.13
Rot. Bonds8

About (E)-2-methyldodec-8-en-3-one

(E)-2-methyldodec-8-en-3-one (PubChem CID 176585053) has the molecular formula C13H24O and a molecular weight of 196.33 g/mol. Its IUPAC name is (E)-2-methyldodec-8-en-3-one.

Molecular Properties

Compound Name(E)-2-methyldodec-8-en-3-one
PubChem CID176585053
Molecular FormulaC13H24O
Molecular Weight196.33 g/mol
Exact Mass196.18
IUPAC Name(E)-2-methyldodec-8-en-3-one
SMILESCCC/C=C/CCCCC(=O)C(C)C
InChIInChI=1S/C13H24O/c1-4-5-6-7-8-9-10-11-13(14)12(2)3/h6-7,12H,4-5,8-11H2,1-3H3/b7-6+
InChIKeyBKZLPWGXSIPHAR-VOTSOKGWSA-N
XLogP4.13
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.33
LogP ≤ 54.13
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-methyldec-6-en-3-one
CID 58528187
(Z)-dec-6-enamide
CID 147399879
(E)-2-methylnon-7-en-3-one
CID 88707157
2-methylhexadecan-3-one
CID 58030381
(E)-undec-7-enoic acid
CID 5312729
(E)-tetracos-20-enoic acid
CID 171117693
2-methyldecan-3-one;6-methylheptan-2-one;(8Z,11Z,14Z)-2-methylicosa-8,11,14-trien-3-one;(Z)-2-methylicos-11-en-3-one;2-methyloctadecan-3-one;bis(2-methyltetradecan-3-one)
CID 164963890
6-methylheptan-2-one;(8Z,11Z,14Z)-2-methylicosa-8,11,14-trien-3-one;(Z)-2-methylicos-11-en-3-one;2-methyltetradecan-3-one
CID 164990507
(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
(E)-2,23-dimethyl-12,13-dioctyltetracos-10-ene-3,22-dione
CID 156627173
(9Z,12Z,15Z)-3-methylhenicosa-9,12,15-trien-4-one
CID 155312053

Frequently Asked Questions

What is the IUPAC name of (E)-2-methyldodec-8-en-3-one?
The IUPAC name of (E)-2-methyldodec-8-en-3-one (CID 176585053) is (E)-2-methyldodec-8-en-3-one.
What is the SMILES notation for (E)-2-methyldodec-8-en-3-one?
The canonical SMILES for (E)-2-methyldodec-8-en-3-one is CCC/C=C/CCCCC(=O)C(C)C.
What is the InChIKey of (E)-2-methyldodec-8-en-3-one?
The InChIKey is BKZLPWGXSIPHAR-VOTSOKGWSA-N. The full InChI is InChI=1S/C13H24O/c1-4-5-6-7-8-9-10-11-13(14)12(2)3/h6-7,12H,4-5,8-11H2,1-3H3/b7-6+.
What are the key properties of (E)-2-methyldodec-8-en-3-one?
(E)-2-methyldodec-8-en-3-one has a molecular weight of 196.33 g/mol, XLogP of 4.13, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methyldodec-8-en-3-one is sourced from PubChem (CID 176585053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).