2,6,8,8-tetramethyl-5,9-dimethylidenedodec-1-ene

C18H32 — CID 59927476

IUPAC2,6,8,8-tetramethyl-5,9-dimethylidenedodec-1-ene
SMILESC=C(C)CCC(=C)C(C)CC(C)(C)C(=C)CCC
InChIInChI=1S/C18H32/c1-9-10-17(6)18(7,8)13-16(5)15(4)12-11-14(2)3/h16H,2,4,6,9-13H2,1,3,5,7-8H3
InChIKeyCODYJAYHJWCAEJ-UHFFFAOYSA-N
MW248.45 g/mol
LogP6.31
Rot. Bonds9

About 2,6,8,8-tetramethyl-5,9-dimethylidenedodec-1-ene

2,6,8,8-tetramethyl-5,9-dimethylidenedodec-1-ene (PubChem CID 59927476) has the molecular formula C18H32 and a molecular weight of 248.45 g/mol. Its IUPAC name is 2,6,8,8-tetramethyl-5,9-dimethylidenedodec-1-ene.

Molecular Properties

Compound Name2,6,8,8-tetramethyl-5,9-dimethylidenedodec-1-ene
PubChem CID59927476
Molecular FormulaC18H32
Molecular Weight248.45 g/mol
Exact Mass248.25
IUPAC Name2,6,8,8-tetramethyl-5,9-dimethylidenedodec-1-ene
SMILESC=C(C)CCC(=C)C(C)CC(C)(C)C(=C)CCC
InChIInChI=1S/C18H32/c1-9-10-17(6)18(7,8)13-16(5)15(4)12-11-14(2)3/h16H,2,4,6,9-13H2,1,3,5,7-8H3
InChIKeyCODYJAYHJWCAEJ-UHFFFAOYSA-N
XLogP6.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500248.45
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,6,8,8-tetramethyl-5,9-dimethylidenedodec-1-ene?
The IUPAC name of 2,6,8,8-tetramethyl-5,9-dimethylidenedodec-1-ene (CID 59927476) is 2,6,8,8-tetramethyl-5,9-dimethylidenedodec-1-ene.
What is the SMILES notation for 2,6,8,8-tetramethyl-5,9-dimethylidenedodec-1-ene?
The canonical SMILES for 2,6,8,8-tetramethyl-5,9-dimethylidenedodec-1-ene is C=C(C)CCC(=C)C(C)CC(C)(C)C(=C)CCC.
What is the InChIKey of 2,6,8,8-tetramethyl-5,9-dimethylidenedodec-1-ene?
The InChIKey is CODYJAYHJWCAEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32/c1-9-10-17(6)18(7,8)13-16(5)15(4)12-11-14(2)3/h16H,2,4,6,9-13H2,1,3,5,7-8H3.
What are the key properties of 2,6,8,8-tetramethyl-5,9-dimethylidenedodec-1-ene?
2,6,8,8-tetramethyl-5,9-dimethylidenedodec-1-ene has a molecular weight of 248.45 g/mol, XLogP of 6.31, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,8,8-tetramethyl-5,9-dimethylidenedodec-1-ene is sourced from PubChem (CID 59927476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).