4,5,8-trimethyltridec-2-ene

C16H32 — CID 123839648

IUPAC4,5,8-trimethyltridec-2-ene
SMILESCC=CC(C)C(C)CCC(C)CCCCC
InChIInChI=1S/C16H32/c1-6-8-9-11-14(3)12-13-16(5)15(4)10-7-2/h7,10,14-16H,6,8-9,11-13H2,1-5H3
InChIKeyUXJMFBNDALCQAL-UHFFFAOYSA-N
MW224.43 g/mol
LogP5.83
Rot. Bonds9

About 4,5,8-trimethyltridec-2-ene

4,5,8-trimethyltridec-2-ene (PubChem CID 123839648) has the molecular formula C16H32 and a molecular weight of 224.43 g/mol. Its IUPAC name is 4,5,8-trimethyltridec-2-ene.

Molecular Properties

Compound Name4,5,8-trimethyltridec-2-ene
PubChem CID123839648
Molecular FormulaC16H32
Molecular Weight224.43 g/mol
Exact Mass224.25
IUPAC Name4,5,8-trimethyltridec-2-ene
SMILESCC=CC(C)C(C)CCC(C)CCCCC
InChIInChI=1S/C16H32/c1-6-8-9-11-14(3)12-13-16(5)15(4)10-7-2/h7,10,14-16H,6,8-9,11-13H2,1-5H3
InChIKeyUXJMFBNDALCQAL-UHFFFAOYSA-N
XLogP5.83
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 ≤ 55.83
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

8,11,12-trimethyltricosane
CID 175564994
11,14-dimethylhexacosane
CID 86148083
3,4,7-trimethyldodecane
CID 123406738
9,13,14,17-tetramethyltriacontane
CID 173157426
5,8,18,24-tetramethylhentriacontane
CID 6430103
6-methyloctacosane
CID 22223942
15-methyldotriacontane
CID 54168480
20-methyltetracontane
CID 20659070
8-methyloctacosane
CID 22224109
13,19-dimethylhentriacontane
CID 86136051
6-methylheptacosane
CID 22223776
15-methylhexatriacontane
CID 86002594

Frequently Asked Questions

What is the IUPAC name of 4,5,8-trimethyltridec-2-ene?
The IUPAC name of 4,5,8-trimethyltridec-2-ene (CID 123839648) is 4,5,8-trimethyltridec-2-ene.
What is the SMILES notation for 4,5,8-trimethyltridec-2-ene?
The canonical SMILES for 4,5,8-trimethyltridec-2-ene is CC=CC(C)C(C)CCC(C)CCCCC.
What is the InChIKey of 4,5,8-trimethyltridec-2-ene?
The InChIKey is UXJMFBNDALCQAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32/c1-6-8-9-11-14(3)12-13-16(5)15(4)10-7-2/h7,10,14-16H,6,8-9,11-13H2,1-5H3.
What are the key properties of 4,5,8-trimethyltridec-2-ene?
4,5,8-trimethyltridec-2-ene has a molecular weight of 224.43 g/mol, XLogP of 5.83, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,8-trimethyltridec-2-ene is sourced from PubChem (CID 123839648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).