4,5-dimethyl-6-propylundec-3-ene

C16H32 — CID 143359050

IUPAC4,5-dimethyl-6-propylundec-3-ene
SMILESCCC=C(C)C(C)C(CCC)CCCCC
InChIInChI=1S/C16H32/c1-6-9-10-13-16(12-8-3)15(5)14(4)11-7-2/h11,15-16H,6-10,12-13H2,1-5H3
InChIKeyZDCUVUVDUAAEAU-UHFFFAOYSA-N
MW224.43 g/mol
LogP5.98
Rot. Bonds9

About 4,5-dimethyl-6-propylundec-3-ene

4,5-dimethyl-6-propylundec-3-ene (PubChem CID 143359050) has the molecular formula C16H32 and a molecular weight of 224.43 g/mol. Its IUPAC name is 4,5-dimethyl-6-propylundec-3-ene.

Molecular Properties

Compound Name4,5-dimethyl-6-propylundec-3-ene
PubChem CID143359050
Molecular FormulaC16H32
Molecular Weight224.43 g/mol
Exact Mass224.25
IUPAC Name4,5-dimethyl-6-propylundec-3-ene
SMILESCCC=C(C)C(C)C(CCC)CCCCC
InChIInChI=1S/C16H32/c1-6-9-10-13-16(12-8-3)15(5)14(4)11-7-2/h11,15-16H,6-10,12-13H2,1-5H3
InChIKeyZDCUVUVDUAAEAU-UHFFFAOYSA-N
XLogP5.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
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

5-butyl-3,4-dimethyldec-2-ene
CID 123501765
6,7-dipropyldodecane
CID 529940
4,5-dipropyltetradecane
CID 21490606
8-hexyl-7-propyltriacontane
CID 21490607
7,8-dipropyltetradecane
CID 530307
4-propan-2-yldecane
CID 15038736
2-methyl-3-tetradecylheptadecanoic acid
CID 176900342
7,8-dimethyltridec-6-ene
CID 123214902
2-pentan-2-ylnonan-1-ol
CID 23316007
2,3,4-trimethyldec-4-ene
CID 123648620
(E)-4-methyl-5-prop-2-enoxydec-3-ene
CID 23037223
3-octyl-4-propylhexane-1,6-diol
CID 154092864

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-6-propylundec-3-ene?
The IUPAC name of 4,5-dimethyl-6-propylundec-3-ene (CID 143359050) is 4,5-dimethyl-6-propylundec-3-ene.
What is the SMILES notation for 4,5-dimethyl-6-propylundec-3-ene?
The canonical SMILES for 4,5-dimethyl-6-propylundec-3-ene is CCC=C(C)C(C)C(CCC)CCCCC.
What is the InChIKey of 4,5-dimethyl-6-propylundec-3-ene?
The InChIKey is ZDCUVUVDUAAEAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32/c1-6-9-10-13-16(12-8-3)15(5)14(4)11-7-2/h11,15-16H,6-10,12-13H2,1-5H3.
What are the key properties of 4,5-dimethyl-6-propylundec-3-ene?
4,5-dimethyl-6-propylundec-3-ene has a molecular weight of 224.43 g/mol, XLogP of 5.98, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-6-propylundec-3-ene is sourced from PubChem (CID 143359050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).