6-butyl-7-ethyltetradec-6-ene

C20H40 — CID 57142303

IUPAC6-butyl-7-ethyltetradec-6-ene
SMILESCCCCCCCC(CC)=C(CCCC)CCCCC
InChIInChI=1S/C20H40/c1-5-9-12-13-15-17-19(8-4)20(16-11-7-3)18-14-10-6-2/h5-18H2,1-4H3
InChIKeyOUQPTNSHOIOTHP-UHFFFAOYSA-N
MW280.54 g/mol
LogP7.82
Rot. Bonds14

About 6-butyl-7-ethyltetradec-6-ene

6-butyl-7-ethyltetradec-6-ene (PubChem CID 57142303) has the molecular formula C20H40 and a molecular weight of 280.54 g/mol. Its IUPAC name is 6-butyl-7-ethyltetradec-6-ene.

Molecular Properties

Compound Name6-butyl-7-ethyltetradec-6-ene
PubChem CID57142303
Molecular FormulaC20H40
Molecular Weight280.54 g/mol
Exact Mass280.31
IUPAC Name6-butyl-7-ethyltetradec-6-ene
SMILESCCCCCCCC(CC)=C(CCCC)CCCCC
InChIInChI=1S/C20H40/c1-5-9-12-13-15-17-19(8-4)20(16-11-7-3)18-14-10-6-2/h5-18H2,1-4H3
InChIKeyOUQPTNSHOIOTHP-UHFFFAOYSA-N
XLogP7.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.54
LogP ≤ 57.82
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'}

Analyze 6-butyl-7-ethyltetradec-6-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

10-butyl-11-ethyldocos-10-ene
CID 57219160
5,6-dibutyltetradec-5-ene
CID 19866346
9,10-dioctyloctadec-9-ene
CID 10814462
(E)-3-ethyl-2-hexylnon-2-enoic acid
CID 21314370
3-ethyl-2-hexyloctadec-2-enoic acid
CID 87170492
2,3-diethylnon-2-enoic acid
CID 150517342
(Z)-3-ethyl-2-methylhenicos-2-enoic acid
CID 87705317
(E)-3-ethyl-2-methylnon-2-enoate
CID 18356641
5-ethyl-4-methylnon-4-ene
CID 143021471
bromo-(2-butyl-3-octylundec-2-enyl)-octylborane
CID 135048100
dodecan-5-one
CID 29771
10-methyl-9-propylicos-9-ene
CID 57290137

Frequently Asked Questions

What is the IUPAC name of 6-butyl-7-ethyltetradec-6-ene?
The IUPAC name of 6-butyl-7-ethyltetradec-6-ene (CID 57142303) is 6-butyl-7-ethyltetradec-6-ene.
What is the SMILES notation for 6-butyl-7-ethyltetradec-6-ene?
The canonical SMILES for 6-butyl-7-ethyltetradec-6-ene is CCCCCCCC(CC)=C(CCCC)CCCCC.
What is the InChIKey of 6-butyl-7-ethyltetradec-6-ene?
The InChIKey is OUQPTNSHOIOTHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40/c1-5-9-12-13-15-17-19(8-4)20(16-11-7-3)18-14-10-6-2/h5-18H2,1-4H3.
What are the key properties of 6-butyl-7-ethyltetradec-6-ene?
6-butyl-7-ethyltetradec-6-ene has a molecular weight of 280.54 g/mol, XLogP of 7.82, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butyl-7-ethyltetradec-6-ene is sourced from PubChem (CID 57142303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).