7-butyl-3,6,6,7,10,10-hexamethyltetradec-1-ene

C24H48 — CID 91024496

IUPAC7-butyl-3,6,6,7,10,10-hexamethyltetradec-1-ene
SMILESC=CC(C)CCC(C)(C)C(C)(CCCC)CCC(C)(C)CCCC
InChIInChI=1S/C24H48/c1-10-13-16-22(5,6)19-20-24(9,17-14-11-2)23(7,8)18-15-21(4)12-3/h12,21H,3,10-11,13-20H2,1-2,4-9H3
InChIKeyVIKCAUKPAXGQNE-UHFFFAOYSA-N
MW336.65 g/mol
LogP8.81
Rot. Bonds14

About 7-butyl-3,6,6,7,10,10-hexamethyltetradec-1-ene

7-butyl-3,6,6,7,10,10-hexamethyltetradec-1-ene (PubChem CID 91024496) has the molecular formula C24H48 and a molecular weight of 336.65 g/mol. Its IUPAC name is 7-butyl-3,6,6,7,10,10-hexamethyltetradec-1-ene.

Molecular Properties

Compound Name7-butyl-3,6,6,7,10,10-hexamethyltetradec-1-ene
PubChem CID91024496
Molecular FormulaC24H48
Molecular Weight336.65 g/mol
Exact Mass336.38
IUPAC Name7-butyl-3,6,6,7,10,10-hexamethyltetradec-1-ene
SMILESC=CC(C)CCC(C)(C)C(C)(CCCC)CCC(C)(C)CCCC
InChIInChI=1S/C24H48/c1-10-13-16-22(5,6)19-20-24(9,17-14-11-2)23(7,8)18-15-21(4)12-3/h12,21H,3,10-11,13-20H2,1-2,4-9H3
InChIKeyVIKCAUKPAXGQNE-UHFFFAOYSA-N
XLogP8.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.65
LogP ≤ 58.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2,6,6-trimethyldecanal
CID 175416251
5,5-dimethylnonane;5-methylnonane
CID 158755954
acetylene;3-methylhept-1-ene;propane
CID 144520771
3,5,5-trimethyloct-1-ene
CID 123557497
butane;3,6-dimethylocta-1,7-diene;ethane;propane
CID 144723339
3-methyltrideca-1,7-diene
CID 173000004
2,5,5-trimethylnonan-1-amine
CID 123431416
3,6,8-trimethyldodec-1-ene
CID 123174555
5,5-dimethylnonane;bis(2-methylpropan-2-amine)
CID 159841481
2,6-dimethyloct-7-en-2-yloxymethanethiol
CID 57007334
3,5,8,8-tetramethyldodecane
CID 123736669
3-methylbut-1-ene;1,1,1-trifluoropentane
CID 177138498

Frequently Asked Questions

What is the IUPAC name of 7-butyl-3,6,6,7,10,10-hexamethyltetradec-1-ene?
The IUPAC name of 7-butyl-3,6,6,7,10,10-hexamethyltetradec-1-ene (CID 91024496) is 7-butyl-3,6,6,7,10,10-hexamethyltetradec-1-ene.
What is the SMILES notation for 7-butyl-3,6,6,7,10,10-hexamethyltetradec-1-ene?
The canonical SMILES for 7-butyl-3,6,6,7,10,10-hexamethyltetradec-1-ene is C=CC(C)CCC(C)(C)C(C)(CCCC)CCC(C)(C)CCCC.
What is the InChIKey of 7-butyl-3,6,6,7,10,10-hexamethyltetradec-1-ene?
The InChIKey is VIKCAUKPAXGQNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H48/c1-10-13-16-22(5,6)19-20-24(9,17-14-11-2)23(7,8)18-15-21(4)12-3/h12,21H,3,10-11,13-20H2,1-2,4-9H3.
What are the key properties of 7-butyl-3,6,6,7,10,10-hexamethyltetradec-1-ene?
7-butyl-3,6,6,7,10,10-hexamethyltetradec-1-ene has a molecular weight of 336.65 g/mol, XLogP of 8.81, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-butyl-3,6,6,7,10,10-hexamethyltetradec-1-ene is sourced from PubChem (CID 91024496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).