10,10-diethyl-4-methyldodeca-1,3,7-triene

C17H30 — CID 123749703

IUPAC10,10-diethyl-4-methyldodeca-1,3,7-triene
SMILESC=CC=C(C)CCC=CCC(CC)(CC)CC
InChIInChI=1S/C17H30/c1-6-13-16(5)14-11-10-12-15-17(7-2,8-3)9-4/h6,10,12-13H,1,7-9,11,14-15H2,2-5H3
InChIKeyMGZLRTMDVCWAJM-UHFFFAOYSA-N
MW234.43 g/mol
LogP6.06
Rot. Bonds9

About 10,10-diethyl-4-methyldodeca-1,3,7-triene

10,10-diethyl-4-methyldodeca-1,3,7-triene (PubChem CID 123749703) has the molecular formula C17H30 and a molecular weight of 234.43 g/mol. Its IUPAC name is 10,10-diethyl-4-methyldodeca-1,3,7-triene.

Molecular Properties

Compound Name10,10-diethyl-4-methyldodeca-1,3,7-triene
PubChem CID123749703
Molecular FormulaC17H30
Molecular Weight234.43 g/mol
Exact Mass234.23
IUPAC Name10,10-diethyl-4-methyldodeca-1,3,7-triene
SMILESC=CC=C(C)CCC=CCC(CC)(CC)CC
InChIInChI=1S/C17H30/c1-6-13-16(5)14-11-10-12-15-17(7-2,8-3)9-4/h6,10,12-13H,1,7-9,11,14-15H2,2-5H3
InChIKeyMGZLRTMDVCWAJM-UHFFFAOYSA-N
XLogP6.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500234.43
LogP ≤ 56.06
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 10,10-diethyl-4-methyldodeca-1,3,7-triene?
The IUPAC name of 10,10-diethyl-4-methyldodeca-1,3,7-triene (CID 123749703) is 10,10-diethyl-4-methyldodeca-1,3,7-triene.
What is the SMILES notation for 10,10-diethyl-4-methyldodeca-1,3,7-triene?
The canonical SMILES for 10,10-diethyl-4-methyldodeca-1,3,7-triene is C=CC=C(C)CCC=CCC(CC)(CC)CC.
What is the InChIKey of 10,10-diethyl-4-methyldodeca-1,3,7-triene?
The InChIKey is MGZLRTMDVCWAJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30/c1-6-13-16(5)14-11-10-12-15-17(7-2,8-3)9-4/h6,10,12-13H,1,7-9,11,14-15H2,2-5H3.
What are the key properties of 10,10-diethyl-4-methyldodeca-1,3,7-triene?
10,10-diethyl-4-methyldodeca-1,3,7-triene has a molecular weight of 234.43 g/mol, XLogP of 6.06, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 10,10-diethyl-4-methyldodeca-1,3,7-triene is sourced from PubChem (CID 123749703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).