(E)-4,9-dimethyltetradec-6-ene

C16H32 — CID 173273385

IUPAC(E)-4,9-dimethyltetradec-6-ene
SMILESCCCCCC(C)C/C=C/CC(C)CCC
InChIInChI=1S/C16H32/c1-5-7-8-12-16(4)14-10-9-13-15(3)11-6-2/h9-10,15-16H,5-8,11-14H2,1-4H3/b10-9+
InChIKeyGDYALFWQUDRXKK-MDZDMXLPSA-N
MW224.43 g/mol
LogP5.98
Rot. Bonds10

About (E)-4,9-dimethyltetradec-6-ene

(E)-4,9-dimethyltetradec-6-ene (PubChem CID 173273385) has the molecular formula C16H32 and a molecular weight of 224.43 g/mol. Its IUPAC name is (E)-4,9-dimethyltetradec-6-ene.

Molecular Properties

Compound Name(E)-4,9-dimethyltetradec-6-ene
PubChem CID173273385
Molecular FormulaC16H32
Molecular Weight224.43 g/mol
Exact Mass224.25
IUPAC Name(E)-4,9-dimethyltetradec-6-ene
SMILESCCCCCC(C)C/C=C/CC(C)CCC
InChIInChI=1S/C16H32/c1-5-7-8-12-16(4)14-10-9-13-15(3)11-6-2/h9-10,15-16H,5-8,11-14H2,1-4H3/b10-9+
InChIKeyGDYALFWQUDRXKK-MDZDMXLPSA-N
XLogP5.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500224.43
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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

8-methyltridec-5-ene
CID 123857568
(E)-6-methylhexadec-3-ene
CID 173194211
(E)-10-methyloctadec-7-ene
CID 173194246
5-methyltridec-2-en-1-ol
CID 139697199
9,16-dimethyltetracos-11-ene
CID 123705440
(E)-5,11-dimethylheptadec-8-ene
CID 173194605
(E)-5-methyltetradec-7-ene
CID 173194503
(4S)-4-methyltridecane
CID 24884428
4,9-dimethylpentadecane
CID 123851930
4-methyltritriacontane
CID 71346224
(4R)-4-methyldecane
CID 57191620
4-methyloctadecane
CID 517866

Frequently Asked Questions

What is the IUPAC name of (E)-4,9-dimethyltetradec-6-ene?
The IUPAC name of (E)-4,9-dimethyltetradec-6-ene (CID 173273385) is (E)-4,9-dimethyltetradec-6-ene.
What is the SMILES notation for (E)-4,9-dimethyltetradec-6-ene?
The canonical SMILES for (E)-4,9-dimethyltetradec-6-ene is CCCCCC(C)C/C=C/CC(C)CCC.
What is the InChIKey of (E)-4,9-dimethyltetradec-6-ene?
The InChIKey is GDYALFWQUDRXKK-MDZDMXLPSA-N. The full InChI is InChI=1S/C16H32/c1-5-7-8-12-16(4)14-10-9-13-15(3)11-6-2/h9-10,15-16H,5-8,11-14H2,1-4H3/b10-9+.
What are the key properties of (E)-4,9-dimethyltetradec-6-ene?
(E)-4,9-dimethyltetradec-6-ene has a molecular weight of 224.43 g/mol, XLogP of 5.98, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4,9-dimethyltetradec-6-ene is sourced from PubChem (CID 173273385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).