2,2,6,8,8-pentamethylnona-3,4,5-triene

C14H24 — CID 12614321

IUPAC2,2,6,8,8-pentamethylnona-3,4,5-triene
SMILESCC(=C=C=CC(C)(C)C)CC(C)(C)C
InChIInChI=1S/C14H24/c1-12(11-14(5,6)7)9-8-10-13(2,3)4/h10H,11H2,1-7H3/b12-10+
InChIKeyYBPNCJJFYRZYRN-ZRDIBKRKSA-N
MW192.35 g/mol
LogP4.73
Rot. Bonds1

About 2,2,6,8,8-pentamethylnona-3,4,5-triene

2,2,6,8,8-pentamethylnona-3,4,5-triene (PubChem CID 12614321) has the molecular formula C14H24 and a molecular weight of 192.35 g/mol. Its IUPAC name is 2,2,6,8,8-pentamethylnona-3,4,5-triene.

Molecular Properties

Compound Name2,2,6,8,8-pentamethylnona-3,4,5-triene
PubChem CID12614321
Molecular FormulaC14H24
Molecular Weight192.35 g/mol
Exact Mass192.19
IUPAC Name2,2,6,8,8-pentamethylnona-3,4,5-triene
SMILESCC(=C=C=CC(C)(C)C)CC(C)(C)C
InChIInChI=1S/C14H24/c1-12(11-14(5,6)7)9-8-10-13(2,3)4/h10H,11H2,1-7H3/b12-10+
InChIKeyYBPNCJJFYRZYRN-ZRDIBKRKSA-N
XLogP4.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.35
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,4,4-Trimethyl-1-pentene
CID 7868
1-Hexene, 3,5,5-trimethyl-
CID 92984
1-Hexene, 5,5-dimethyl-
CID 23502
2,4,4,6,6-Pentamethyl-2-heptene
CID 170244
3,5,5-Trimethyl-2-hexene
CID 5365055
3,3-Dimethyl-1-hexene
CID 137924
2,2,4,6,6-Pentamethyl-3-heptene
CID 31259
(E)-2,2,4,6,6-pentamethylhept-3-ene
CID 5365103
2,4,4-Trimethyl-1-hexene
CID 142817
3,3-Dimethyl-1-heptene
CID 423787
2,3,3-Trimethyl-1-pentene
CID 11216
3,3,5-Trimethyl-1-hexene
CID 25980

Frequently Asked Questions

What is the IUPAC name of 2,2,6,8,8-pentamethylnona-3,4,5-triene?
The IUPAC name of 2,2,6,8,8-pentamethylnona-3,4,5-triene (CID 12614321) is 2,2,6,8,8-pentamethylnona-3,4,5-triene.
What is the SMILES notation for 2,2,6,8,8-pentamethylnona-3,4,5-triene?
The canonical SMILES for 2,2,6,8,8-pentamethylnona-3,4,5-triene is CC(=C=C=CC(C)(C)C)CC(C)(C)C.
What is the InChIKey of 2,2,6,8,8-pentamethylnona-3,4,5-triene?
The InChIKey is YBPNCJJFYRZYRN-ZRDIBKRKSA-N. The full InChI is InChI=1S/C14H24/c1-12(11-14(5,6)7)9-8-10-13(2,3)4/h10H,11H2,1-7H3/b12-10+.
What are the key properties of 2,2,6,8,8-pentamethylnona-3,4,5-triene?
2,2,6,8,8-pentamethylnona-3,4,5-triene has a molecular weight of 192.35 g/mol, XLogP of 4.73, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6,8,8-pentamethylnona-3,4,5-triene is sourced from PubChem (CID 12614321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).