6-ethenyl-2,5,7,8,10-pentamethylheptadecane

C24H48 — CID 123242157

IUPAC6-ethenyl-2,5,7,8,10-pentamethylheptadecane
SMILESC=CC(C(C)CCC(C)C)C(C)C(C)CC(C)CCCCCCC
InChIInChI=1S/C24H48/c1-9-11-12-13-14-15-20(5)18-22(7)23(8)24(10-2)21(6)17-16-19(3)4/h10,19-24H,2,9,11-18H2,1,3-8H3
InChIKeyRHVIUTWBXFFYQY-UHFFFAOYSA-N
MW336.65 g/mol
LogP8.52
Rot. Bonds15

About 6-ethenyl-2,5,7,8,10-pentamethylheptadecane

6-ethenyl-2,5,7,8,10-pentamethylheptadecane (PubChem CID 123242157) has the molecular formula C24H48 and a molecular weight of 336.65 g/mol. Its IUPAC name is 6-ethenyl-2,5,7,8,10-pentamethylheptadecane.

Molecular Properties

Compound Name6-ethenyl-2,5,7,8,10-pentamethylheptadecane
PubChem CID123242157
Molecular FormulaC24H48
Molecular Weight336.65 g/mol
Exact Mass336.38
IUPAC Name6-ethenyl-2,5,7,8,10-pentamethylheptadecane
SMILESC=CC(C(C)CCC(C)C)C(C)C(C)CC(C)CCCCCCC
InChIInChI=1S/C24H48/c1-9-11-12-13-14-15-20(5)18-22(7)23(8)24(10-2)21(6)17-16-19(3)4/h10,19-24H,2,9,11-18H2,1,3-8H3
InChIKeyRHVIUTWBXFFYQY-UHFFFAOYSA-N
XLogP8.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.65
LogP ≤ 58.52
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

2,4-dimethyltetradecane
CID 53423723
(4S)-2,4-dimethylicosane
CID 134952934
2,24,26-trimethyldotetracontane
CID 91249721
(4S,6S,8S)-2,4,6,8-tetramethyltetracosane
CID 141213214
2,4,8-trimethyloctacosane
CID 91751081
6,8-dimethylhexadecane
CID 91185725
3-methylbut-1-ene;2-methylheptane
CID 157223055
2,4,5,7-tetramethylundecane
CID 91373064
4,6-dimethyldodec-1-ene
CID 170848376
2,44-dimethyltripentacontane
CID 123367078
2,10,16-trimethyloctacosane
CID 91748811
2,8-dimethylhexacosane
CID 91748840

Frequently Asked Questions

What is the IUPAC name of 6-ethenyl-2,5,7,8,10-pentamethylheptadecane?
The IUPAC name of 6-ethenyl-2,5,7,8,10-pentamethylheptadecane (CID 123242157) is 6-ethenyl-2,5,7,8,10-pentamethylheptadecane.
What is the SMILES notation for 6-ethenyl-2,5,7,8,10-pentamethylheptadecane?
The canonical SMILES for 6-ethenyl-2,5,7,8,10-pentamethylheptadecane is C=CC(C(C)CCC(C)C)C(C)C(C)CC(C)CCCCCCC.
What is the InChIKey of 6-ethenyl-2,5,7,8,10-pentamethylheptadecane?
The InChIKey is RHVIUTWBXFFYQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H48/c1-9-11-12-13-14-15-20(5)18-22(7)23(8)24(10-2)21(6)17-16-19(3)4/h10,19-24H,2,9,11-18H2,1,3-8H3.
What are the key properties of 6-ethenyl-2,5,7,8,10-pentamethylheptadecane?
6-ethenyl-2,5,7,8,10-pentamethylheptadecane has a molecular weight of 336.65 g/mol, XLogP of 8.52, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethenyl-2,5,7,8,10-pentamethylheptadecane is sourced from PubChem (CID 123242157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).