2,2,4,4,8-pentamethyl-6-methylidenedecane

C16H32 — CID 91487026

IUPAC2,2,4,4,8-pentamethyl-6-methylidenedecane
SMILESC=C(CC(C)CC)CC(C)(C)CC(C)(C)C
InChIInChI=1S/C16H32/c1-9-13(2)10-14(3)11-16(7,8)12-15(4,5)6/h13H,3,9-12H2,1-2,4-8H3
InChIKeyZNDXNKXUYWTKPR-UHFFFAOYSA-N
MW224.43 g/mol
LogP5.83
Rot. Bonds6

About 2,2,4,4,8-pentamethyl-6-methylidenedecane

2,2,4,4,8-pentamethyl-6-methylidenedecane (PubChem CID 91487026) has the molecular formula C16H32 and a molecular weight of 224.43 g/mol. Its IUPAC name is 2,2,4,4,8-pentamethyl-6-methylidenedecane.

Molecular Properties

Compound Name2,2,4,4,8-pentamethyl-6-methylidenedecane
PubChem CID91487026
Molecular FormulaC16H32
Molecular Weight224.43 g/mol
Exact Mass224.25
IUPAC Name2,2,4,4,8-pentamethyl-6-methylidenedecane
SMILESC=C(CC(C)CC)CC(C)(C)CC(C)(C)C
InChIInChI=1S/C16H32/c1-9-13(2)10-14(3)11-16(7,8)12-15(4,5)6/h13H,3,9-12H2,1-2,4-8H3
InChIKeyZNDXNKXUYWTKPR-UHFFFAOYSA-N
XLogP5.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500224.43
LogP ≤ 55.83
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 2,2,4,4,8-pentamethyl-6-methylidenedecane?
The IUPAC name of 2,2,4,4,8-pentamethyl-6-methylidenedecane (CID 91487026) is 2,2,4,4,8-pentamethyl-6-methylidenedecane.
What is the SMILES notation for 2,2,4,4,8-pentamethyl-6-methylidenedecane?
The canonical SMILES for 2,2,4,4,8-pentamethyl-6-methylidenedecane is C=C(CC(C)CC)CC(C)(C)CC(C)(C)C.
What is the InChIKey of 2,2,4,4,8-pentamethyl-6-methylidenedecane?
The InChIKey is ZNDXNKXUYWTKPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32/c1-9-13(2)10-14(3)11-16(7,8)12-15(4,5)6/h13H,3,9-12H2,1-2,4-8H3.
What are the key properties of 2,2,4,4,8-pentamethyl-6-methylidenedecane?
2,2,4,4,8-pentamethyl-6-methylidenedecane has a molecular weight of 224.43 g/mol, XLogP of 5.83, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,4,8-pentamethyl-6-methylidenedecane is sourced from PubChem (CID 91487026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).