(5E)-5-(2,2-dimethylpropylidene)-6,6-diethylundecane

C20H40 — CID 14195731

IUPAC(5E)-5-(2,2-dimethylpropylidene)-6,6-diethylundecane
SMILESCCCCCC(CC)(CC)/C(=C/C(C)(C)C)CCCC
InChIInChI=1S/C20H40/c1-8-12-14-16-20(10-3,11-4)18(15-13-9-2)17-19(5,6)7/h17H,8-16H2,1-7H3/b18-17+
InChIKeyFLNNYYNRWLKYML-ISLYRVAYSA-N
MW280.54 g/mol
LogP7.54
Rot. Bonds10

About (5E)-5-(2,2-dimethylpropylidene)-6,6-diethylundecane

(5E)-5-(2,2-dimethylpropylidene)-6,6-diethylundecane (PubChem CID 14195731) has the molecular formula C20H40 and a molecular weight of 280.54 g/mol. Its IUPAC name is (5E)-5-(2,2-dimethylpropylidene)-6,6-diethylundecane.

Molecular Properties

Compound Name(5E)-5-(2,2-dimethylpropylidene)-6,6-diethylundecane
PubChem CID14195731
Molecular FormulaC20H40
Molecular Weight280.54 g/mol
Exact Mass280.31
IUPAC Name(5E)-5-(2,2-dimethylpropylidene)-6,6-diethylundecane
SMILESCCCCCC(CC)(CC)/C(=C/C(C)(C)C)CCCC
InChIInChI=1S/C20H40/c1-8-12-14-16-20(10-3,11-4)18(15-13-9-2)17-19(5,6)7/h17H,8-16H2,1-7H3/b18-17+
InChIKeyFLNNYYNRWLKYML-ISLYRVAYSA-N
XLogP7.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.54
LogP ≤ 57.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5E)-5-(2,2-dimethylpropylidene)-6,6-diethylundecane?
The IUPAC name of (5E)-5-(2,2-dimethylpropylidene)-6,6-diethylundecane (CID 14195731) is (5E)-5-(2,2-dimethylpropylidene)-6,6-diethylundecane.
What is the SMILES notation for (5E)-5-(2,2-dimethylpropylidene)-6,6-diethylundecane?
The canonical SMILES for (5E)-5-(2,2-dimethylpropylidene)-6,6-diethylundecane is CCCCCC(CC)(CC)/C(=C/C(C)(C)C)CCCC.
What is the InChIKey of (5E)-5-(2,2-dimethylpropylidene)-6,6-diethylundecane?
The InChIKey is FLNNYYNRWLKYML-ISLYRVAYSA-N. The full InChI is InChI=1S/C20H40/c1-8-12-14-16-20(10-3,11-4)18(15-13-9-2)17-19(5,6)7/h17H,8-16H2,1-7H3/b18-17+.
What are the key properties of (5E)-5-(2,2-dimethylpropylidene)-6,6-diethylundecane?
(5E)-5-(2,2-dimethylpropylidene)-6,6-diethylundecane has a molecular weight of 280.54 g/mol, XLogP of 7.54, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-(2,2-dimethylpropylidene)-6,6-diethylundecane is sourced from PubChem (CID 14195731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).