3-ethyl-4,5,10-trimethylundec-3-ene

C16H32 — CID 90722153

IUPAC3-ethyl-4,5,10-trimethylundec-3-ene
SMILESCCC(CC)=C(C)C(C)CCCCC(C)C
InChIInChI=1S/C16H32/c1-7-16(8-2)15(6)14(5)12-10-9-11-13(3)4/h13-14H,7-12H2,1-6H3
InChIKeyNCUQOPCALCKFPW-UHFFFAOYSA-N
MW224.43 g/mol
LogP5.98
Rot. Bonds8

About 3-ethyl-4,5,10-trimethylundec-3-ene

3-ethyl-4,5,10-trimethylundec-3-ene (PubChem CID 90722153) has the molecular formula C16H32 and a molecular weight of 224.43 g/mol. Its IUPAC name is 3-ethyl-4,5,10-trimethylundec-3-ene.

Molecular Properties

Compound Name3-ethyl-4,5,10-trimethylundec-3-ene
PubChem CID90722153
Molecular FormulaC16H32
Molecular Weight224.43 g/mol
Exact Mass224.25
IUPAC Name3-ethyl-4,5,10-trimethylundec-3-ene
SMILESCCC(CC)=C(C)C(C)CCCCC(C)C
InChIInChI=1S/C16H32/c1-7-16(8-2)15(6)14(5)12-10-9-11-13(3)4/h13-14H,7-12H2,1-6H3
InChIKeyNCUQOPCALCKFPW-UHFFFAOYSA-N
XLogP5.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
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'}

Analyze 3-ethyl-4,5,10-trimethylundec-3-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

alpha-Camphorene
CID 101750
(-)-Cembrene A
CID 5281384
(14E,18E)-lycopadiene
CID 13889926
3-Methyl-1,2-didehydro-2,3-dihydrosqualene
CID 70679146
m-Camphorene
CID 5315649
2,6,10,15,19,23-Hexamethyltetracosene
CID 6437646
3,7,11,15-Tetramethyl-2-hexadecene
CID 5366161
Somaliensene B
CID 139589961
Cembrene A (711293 K111)
CID 5384141
1,5,9-Cyclotetradecatriene, 13-isopropenyl-2,6,10-trimethyl-, (-)-
CID 11208039
Phyt-2-ene
CID 6428766
Pristene
CID 11023721

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4,5,10-trimethylundec-3-ene?
The IUPAC name of 3-ethyl-4,5,10-trimethylundec-3-ene (CID 90722153) is 3-ethyl-4,5,10-trimethylundec-3-ene.
What is the SMILES notation for 3-ethyl-4,5,10-trimethylundec-3-ene?
The canonical SMILES for 3-ethyl-4,5,10-trimethylundec-3-ene is CCC(CC)=C(C)C(C)CCCCC(C)C.
What is the InChIKey of 3-ethyl-4,5,10-trimethylundec-3-ene?
The InChIKey is NCUQOPCALCKFPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32/c1-7-16(8-2)15(6)14(5)12-10-9-11-13(3)4/h13-14H,7-12H2,1-6H3.
What are the key properties of 3-ethyl-4,5,10-trimethylundec-3-ene?
3-ethyl-4,5,10-trimethylundec-3-ene has a molecular weight of 224.43 g/mol, XLogP of 5.98, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4,5,10-trimethylundec-3-ene is sourced from PubChem (CID 90722153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).