(E)-4-methyldodec-3-en-2-one

C13H24O — CID 19609505

IUPAC(E)-4-methyldodec-3-en-2-one
SMILESCCCCCCCC/C(C)=C/C(C)=O
InChIInChI=1S/C13H24O/c1-4-5-6-7-8-9-10-12(2)11-13(3)14/h11H,4-10H2,1-3H3/b12-11+
InChIKeyUVJTXQKXAPLJEZ-VAWYXSNFSA-N
MW196.33 g/mol
LogP4.27
Rot. Bonds8

About (E)-4-methyldodec-3-en-2-one

(E)-4-methyldodec-3-en-2-one (PubChem CID 19609505) has the molecular formula C13H24O and a molecular weight of 196.33 g/mol. Its IUPAC name is (E)-4-methyldodec-3-en-2-one.

Molecular Properties

Compound Name(E)-4-methyldodec-3-en-2-one
PubChem CID19609505
Molecular FormulaC13H24O
Molecular Weight196.33 g/mol
Exact Mass196.18
IUPAC Name(E)-4-methyldodec-3-en-2-one
SMILESCCCCCCCC/C(C)=C/C(C)=O
InChIInChI=1S/C13H24O/c1-4-5-6-7-8-9-10-12(2)11-13(3)14/h11H,4-10H2,1-3H3/b12-11+
InChIKeyUVJTXQKXAPLJEZ-VAWYXSNFSA-N
XLogP4.27
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 ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-methylundec-3-en-2-one
CID 103970939
(Z)-4-methylundec-3-en-2-one
CID 121464257
(Z)-12-methylhenicos-11-en-10-one
CID 122379193
3-methylpentadec-2-enamide
CID 174903366
(2E,4E)-3,5-dimethylicosa-2,4-dienoic acid
CID 11056828
methyl (Z)-3-methyloct-2-enoate
CID 14332772
ethyl (Z)-3-methylundec-2-enoate
CID 89095878
tricosan-2-one
CID 529806
docosan-2-one
CID 522660
octadecakis(hexane);nonan-2-one
CID 173226284
nonan-2-one
CID 13187
decan-2-one
CID 12741

Frequently Asked Questions

What is the IUPAC name of (E)-4-methyldodec-3-en-2-one?
The IUPAC name of (E)-4-methyldodec-3-en-2-one (CID 19609505) is (E)-4-methyldodec-3-en-2-one.
What is the SMILES notation for (E)-4-methyldodec-3-en-2-one?
The canonical SMILES for (E)-4-methyldodec-3-en-2-one is CCCCCCCC/C(C)=C/C(C)=O.
What is the InChIKey of (E)-4-methyldodec-3-en-2-one?
The InChIKey is UVJTXQKXAPLJEZ-VAWYXSNFSA-N. The full InChI is InChI=1S/C13H24O/c1-4-5-6-7-8-9-10-12(2)11-13(3)14/h11H,4-10H2,1-3H3/b12-11+.
What are the key properties of (E)-4-methyldodec-3-en-2-one?
(E)-4-methyldodec-3-en-2-one has a molecular weight of 196.33 g/mol, XLogP of 4.27, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-methyldodec-3-en-2-one is sourced from PubChem (CID 19609505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).