(E)-7-methyltridec-5-en-3-one

C14H26O — CID 89048290

IUPAC(E)-7-methyltridec-5-en-3-one
SMILESCCCCCCC(C)/C=C/CC(=O)CC
InChIInChI=1S/C14H26O/c1-4-6-7-8-10-13(3)11-9-12-14(15)5-2/h9,11,13H,4-8,10,12H2,1-3H3/b11-9+
InChIKeyPWTMJHHWCUEXJU-PKNBQFBNSA-N
MW210.36 g/mol
LogP4.52
Rot. Bonds9

About (E)-7-methyltridec-5-en-3-one

(E)-7-methyltridec-5-en-3-one (PubChem CID 89048290) has the molecular formula C14H26O and a molecular weight of 210.36 g/mol. Its IUPAC name is (E)-7-methyltridec-5-en-3-one.

Molecular Properties

Compound Name(E)-7-methyltridec-5-en-3-one
PubChem CID89048290
Molecular FormulaC14H26O
Molecular Weight210.36 g/mol
Exact Mass210.20
IUPAC Name(E)-7-methyltridec-5-en-3-one
SMILESCCCCCCC(C)/C=C/CC(=O)CC
InChIInChI=1S/C14H26O/c1-4-6-7-8-10-13(3)11-9-12-14(15)5-2/h9,11,13H,4-8,10,12H2,1-3H3/b11-9+
InChIKeyPWTMJHHWCUEXJU-PKNBQFBNSA-N
XLogP4.52
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 54.52
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

5-methylnon-3-enoic acid
CID 73071370
2,4-dimethylpentan-3-yl (Z)-5-methylundec-3-enoate
CID 88882000
(E)-5-methyldodec-3-ene
CID 173194511
6-methyltetracos-4-enoic acid
CID 173102051
(E,11S)-11-methyltricos-9-ene
CID 163215390
7-methylhexadec-5-ene
CID 150059561
(E)-10-methylheptadec-8-ene
CID 10923034
(E)-4-methyltetradec-2-enoic acid
CID 173352049
9-methylnonadec-10-enoic acid
CID 57288184
12-methyl-2-tetradecylicos-13-enoic acid
CID 174214797
2-methyldodecanal
CID 87784106
5-methylpentadec-6-ene
CID 123440014

Frequently Asked Questions

What is the IUPAC name of (E)-7-methyltridec-5-en-3-one?
The IUPAC name of (E)-7-methyltridec-5-en-3-one (CID 89048290) is (E)-7-methyltridec-5-en-3-one.
What is the SMILES notation for (E)-7-methyltridec-5-en-3-one?
The canonical SMILES for (E)-7-methyltridec-5-en-3-one is CCCCCCC(C)/C=C/CC(=O)CC.
What is the InChIKey of (E)-7-methyltridec-5-en-3-one?
The InChIKey is PWTMJHHWCUEXJU-PKNBQFBNSA-N. The full InChI is InChI=1S/C14H26O/c1-4-6-7-8-10-13(3)11-9-12-14(15)5-2/h9,11,13H,4-8,10,12H2,1-3H3/b11-9+.
What are the key properties of (E)-7-methyltridec-5-en-3-one?
(E)-7-methyltridec-5-en-3-one has a molecular weight of 210.36 g/mol, XLogP of 4.52, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-7-methyltridec-5-en-3-one is sourced from PubChem (CID 89048290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).