2,6,6,9-tetramethyl-7-(2-methylprop-1-enyl)deca-2,4,8-triene

C18H30 — CID 85113216

IUPAC2,6,6,9-tetramethyl-7-(2-methylprop-1-enyl)deca-2,4,8-triene
SMILESCC(C)=CC=CC(C)(C)C(C=C(C)C)C=C(C)C
InChIInChI=1S/C18H30/c1-14(2)10-9-11-18(7,8)17(12-15(3)4)13-16(5)6/h9-13,17H,1-8H3
InChIKeyZYVCSOIYGLZABC-UHFFFAOYSA-N
MW246.44 g/mol
LogP6.08
Rot. Bonds5

About 2,6,6,9-tetramethyl-7-(2-methylprop-1-enyl)deca-2,4,8-triene

2,6,6,9-tetramethyl-7-(2-methylprop-1-enyl)deca-2,4,8-triene (PubChem CID 85113216) has the molecular formula C18H30 and a molecular weight of 246.44 g/mol. Its IUPAC name is 2,6,6,9-tetramethyl-7-(2-methylprop-1-enyl)deca-2,4,8-triene.

Molecular Properties

Compound Name2,6,6,9-tetramethyl-7-(2-methylprop-1-enyl)deca-2,4,8-triene
PubChem CID85113216
Molecular FormulaC18H30
Molecular Weight246.44 g/mol
Exact Mass246.23
IUPAC Name2,6,6,9-tetramethyl-7-(2-methylprop-1-enyl)deca-2,4,8-triene
SMILESCC(C)=CC=CC(C)(C)C(C=C(C)C)C=C(C)C
InChIInChI=1S/C18H30/c1-14(2)10-9-11-18(7,8)17(12-15(3)4)13-16(5)6/h9-13,17H,1-8H3
InChIKeyZYVCSOIYGLZABC-UHFFFAOYSA-N
XLogP6.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500246.44
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,6,6,9-tetramethyl-7-(2-methylprop-1-enyl)deca-2,4,8-triene?
The IUPAC name of 2,6,6,9-tetramethyl-7-(2-methylprop-1-enyl)deca-2,4,8-triene (CID 85113216) is 2,6,6,9-tetramethyl-7-(2-methylprop-1-enyl)deca-2,4,8-triene.
What is the SMILES notation for 2,6,6,9-tetramethyl-7-(2-methylprop-1-enyl)deca-2,4,8-triene?
The canonical SMILES for 2,6,6,9-tetramethyl-7-(2-methylprop-1-enyl)deca-2,4,8-triene is CC(C)=CC=CC(C)(C)C(C=C(C)C)C=C(C)C.
What is the InChIKey of 2,6,6,9-tetramethyl-7-(2-methylprop-1-enyl)deca-2,4,8-triene?
The InChIKey is ZYVCSOIYGLZABC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30/c1-14(2)10-9-11-18(7,8)17(12-15(3)4)13-16(5)6/h9-13,17H,1-8H3.
What are the key properties of 2,6,6,9-tetramethyl-7-(2-methylprop-1-enyl)deca-2,4,8-triene?
2,6,6,9-tetramethyl-7-(2-methylprop-1-enyl)deca-2,4,8-triene has a molecular weight of 246.44 g/mol, XLogP of 6.08, 5 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-7-(2-methylprop-1-enyl)deca-2,4,8-triene is sourced from PubChem (CID 85113216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).