5-ethyl-3,11-dimethyltridec-5-ene

C17H34 — CID 123408628

IUPAC5-ethyl-3,11-dimethyltridec-5-ene
SMILESCCC(=CCCCCC(C)CC)CC(C)CC
InChIInChI=1S/C17H34/c1-6-15(4)12-10-9-11-13-17(8-3)14-16(5)7-2/h13,15-16H,6-12,14H2,1-5H3
InChIKeyPQUOTMZXNDIWTA-UHFFFAOYSA-N
MW238.46 g/mol
LogP6.37
Rot. Bonds10

About 5-ethyl-3,11-dimethyltridec-5-ene

5-ethyl-3,11-dimethyltridec-5-ene (PubChem CID 123408628) has the molecular formula C17H34 and a molecular weight of 238.46 g/mol. Its IUPAC name is 5-ethyl-3,11-dimethyltridec-5-ene.

Molecular Properties

Compound Name5-ethyl-3,11-dimethyltridec-5-ene
PubChem CID123408628
Molecular FormulaC17H34
Molecular Weight238.46 g/mol
Exact Mass238.27
IUPAC Name5-ethyl-3,11-dimethyltridec-5-ene
SMILESCCC(=CCCCCC(C)CC)CC(C)CC
InChIInChI=1S/C17H34/c1-6-15(4)12-10-9-11-13-17(8-3)14-16(5)7-2/h13,15-16H,6-12,14H2,1-5H3
InChIKeyPQUOTMZXNDIWTA-UHFFFAOYSA-N
XLogP6.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500238.46
LogP ≤ 56.37
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

3-ethyl-5-methylhept-2-ene
CID 90962982
2,3,8-trimethyldec-3-ene
CID 123648225
14-methylhexadec-1-ene
CID 86185732
11-methyltridec-1-ene
CID 528465
7,11-dimethyltridec-6-ene
CID 91025564
(3R,7R)-3,7-dimethylnonane
CID 42626759
7-methylnonane-1,2-diol
CID 144577410
5-ethyl-7-methylnona-2,4-diene
CID 123846326
(E)-14-methylhexadec-8-enal
CID 6073809
(Z)-1-bromo-11-methyltridec-5-ene
CID 11108579
14-methylhexadecan-1-ol
CID 5283264
(7S)-7-methylnonan-1-ol
CID 11105641

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3,11-dimethyltridec-5-ene?
The IUPAC name of 5-ethyl-3,11-dimethyltridec-5-ene (CID 123408628) is 5-ethyl-3,11-dimethyltridec-5-ene.
What is the SMILES notation for 5-ethyl-3,11-dimethyltridec-5-ene?
The canonical SMILES for 5-ethyl-3,11-dimethyltridec-5-ene is CCC(=CCCCCC(C)CC)CC(C)CC.
What is the InChIKey of 5-ethyl-3,11-dimethyltridec-5-ene?
The InChIKey is PQUOTMZXNDIWTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34/c1-6-15(4)12-10-9-11-13-17(8-3)14-16(5)7-2/h13,15-16H,6-12,14H2,1-5H3.
What are the key properties of 5-ethyl-3,11-dimethyltridec-5-ene?
5-ethyl-3,11-dimethyltridec-5-ene has a molecular weight of 238.46 g/mol, XLogP of 6.37, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3,11-dimethyltridec-5-ene is sourced from PubChem (CID 123408628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).