2,6,6,9-tetramethyl-3-methylidenecycloundeca-1,4,8-triene

C16H24 — CID 162866320

IUPAC2,6,6,9-tetramethyl-3-methylidenecycloundeca-1,4,8-triene
SMILESC=C1C=CC(C)(C)CC=C(C)CCC=C1C
InChIInChI=1S/C16H24/c1-13-7-6-8-14(2)15(3)10-12-16(4,5)11-9-13/h8-10,12H,3,6-7,11H2,1-2,4-5H3
InChIKeyZBPBPXWKBXSESR-UHFFFAOYSA-N
MW216.37 g/mol
LogP5.20
Rot. Bonds

About 2,6,6,9-tetramethyl-3-methylidenecycloundeca-1,4,8-triene

2,6,6,9-tetramethyl-3-methylidenecycloundeca-1,4,8-triene (PubChem CID 162866320) has the molecular formula C16H24 and a molecular weight of 216.37 g/mol. Its IUPAC name is 2,6,6,9-tetramethyl-3-methylidenecycloundeca-1,4,8-triene.

Molecular Properties

Compound Name2,6,6,9-tetramethyl-3-methylidenecycloundeca-1,4,8-triene
PubChem CID162866320
Molecular FormulaC16H24
Molecular Weight216.37 g/mol
Exact Mass216.19
IUPAC Name2,6,6,9-tetramethyl-3-methylidenecycloundeca-1,4,8-triene
SMILESC=C1C=CC(C)(C)CC=C(C)CCC=C1C
InChIInChI=1S/C16H24/c1-13-7-6-8-14(2)15(3)10-12-16(4,5)11-9-13/h8-10,12H,3,6-7,11H2,1-2,4-5H3
InChIKeyZBPBPXWKBXSESR-UHFFFAOYSA-N
XLogP5.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500216.37
LogP ≤ 55.20
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

Lycopene
CID 446925
Humulene
CID 5281520
Farnesene
CID 5281516
Phytoene
CID 5280784
All-Trans-Phytofluene
CID 6436722
(6E)-6-((2E,4E,6E)-3,7-Dimethyl-2,4,6,8-nonatetraen-1-ylidene)-1,5,5-trimethylcyclohexene
CID 5287678
xi-Carotene
CID 5280788
Neurosporene
CID 5280789
(Z,E)-alpha-Farnesene
CID 5362889
(3E)-4,8-dimethyl-1,3,7-nonatriene
CID 6427110
(E,E)-4,8,12-Trimethyl-1,3,7,11-tridecatetraene
CID 6443227
15-cis-Phytoene
CID 9963391

Frequently Asked Questions

What is the IUPAC name of 2,6,6,9-tetramethyl-3-methylidenecycloundeca-1,4,8-triene?
The IUPAC name of 2,6,6,9-tetramethyl-3-methylidenecycloundeca-1,4,8-triene (CID 162866320) is 2,6,6,9-tetramethyl-3-methylidenecycloundeca-1,4,8-triene.
What is the SMILES notation for 2,6,6,9-tetramethyl-3-methylidenecycloundeca-1,4,8-triene?
The canonical SMILES for 2,6,6,9-tetramethyl-3-methylidenecycloundeca-1,4,8-triene is C=C1C=CC(C)(C)CC=C(C)CCC=C1C.
What is the InChIKey of 2,6,6,9-tetramethyl-3-methylidenecycloundeca-1,4,8-triene?
The InChIKey is ZBPBPXWKBXSESR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24/c1-13-7-6-8-14(2)15(3)10-12-16(4,5)11-9-13/h8-10,12H,3,6-7,11H2,1-2,4-5H3.
What are the key properties of 2,6,6,9-tetramethyl-3-methylidenecycloundeca-1,4,8-triene?
2,6,6,9-tetramethyl-3-methylidenecycloundeca-1,4,8-triene has a molecular weight of 216.37 g/mol, XLogP of 5.20, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,6,9-tetramethyl-3-methylidenecycloundeca-1,4,8-triene is sourced from PubChem (CID 162866320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).