6-ethyl-2,6,9,13-tetramethyl-4,11-dimethylidenepentadecane

C23H44 — CID 91299152

IUPAC6-ethyl-2,6,9,13-tetramethyl-4,11-dimethylidenepentadecane
SMILESC=C(CC(C)CC)CC(C)CCC(C)(CC)CC(=C)CC(C)C
InChIInChI=1S/C23H44/c1-10-19(5)15-21(7)16-20(6)12-13-23(9,11-2)17-22(8)14-18(3)4/h18-20H,7-8,10-17H2,1-6,9H3
InChIKeyVLLBZSMHWQRDOO-UHFFFAOYSA-N
MW320.61 g/mol
LogP8.19
Rot. Bonds13

About 6-ethyl-2,6,9,13-tetramethyl-4,11-dimethylidenepentadecane

6-ethyl-2,6,9,13-tetramethyl-4,11-dimethylidenepentadecane (PubChem CID 91299152) has the molecular formula C23H44 and a molecular weight of 320.61 g/mol. Its IUPAC name is 6-ethyl-2,6,9,13-tetramethyl-4,11-dimethylidenepentadecane.

Molecular Properties

Compound Name6-ethyl-2,6,9,13-tetramethyl-4,11-dimethylidenepentadecane
PubChem CID91299152
Molecular FormulaC23H44
Molecular Weight320.61 g/mol
Exact Mass320.34
IUPAC Name6-ethyl-2,6,9,13-tetramethyl-4,11-dimethylidenepentadecane
SMILESC=C(CC(C)CC)CC(C)CCC(C)(CC)CC(=C)CC(C)C
InChIInChI=1S/C23H44/c1-10-19(5)15-21(7)16-20(6)12-13-23(9,11-2)17-22(8)14-18(3)4/h18-20H,7-8,10-17H2,1-6,9H3
InChIKeyVLLBZSMHWQRDOO-UHFFFAOYSA-N
XLogP8.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.61
LogP ≤ 58.19
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 6-ethyl-2,6,9,13-tetramethyl-4,11-dimethylidenepentadecane?
The IUPAC name of 6-ethyl-2,6,9,13-tetramethyl-4,11-dimethylidenepentadecane (CID 91299152) is 6-ethyl-2,6,9,13-tetramethyl-4,11-dimethylidenepentadecane.
What is the SMILES notation for 6-ethyl-2,6,9,13-tetramethyl-4,11-dimethylidenepentadecane?
The canonical SMILES for 6-ethyl-2,6,9,13-tetramethyl-4,11-dimethylidenepentadecane is C=C(CC(C)CC)CC(C)CCC(C)(CC)CC(=C)CC(C)C.
What is the InChIKey of 6-ethyl-2,6,9,13-tetramethyl-4,11-dimethylidenepentadecane?
The InChIKey is VLLBZSMHWQRDOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H44/c1-10-19(5)15-21(7)16-20(6)12-13-23(9,11-2)17-22(8)14-18(3)4/h18-20H,7-8,10-17H2,1-6,9H3.
What are the key properties of 6-ethyl-2,6,9,13-tetramethyl-4,11-dimethylidenepentadecane?
6-ethyl-2,6,9,13-tetramethyl-4,11-dimethylidenepentadecane has a molecular weight of 320.61 g/mol, XLogP of 8.19, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2,6,9,13-tetramethyl-4,11-dimethylidenepentadecane is sourced from PubChem (CID 91299152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).