(E)-2,2-dimethyl-4-(2-methylpropyl)-5,5-dipropylundec-3-ene

C23H46 — CID 14195733

IUPAC(E)-2,2-dimethyl-4-(2-methylpropyl)-5,5-dipropylundec-3-ene
SMILESCCCCCCC(CCC)(CCC)/C(=C/C(C)(C)C)CC(C)C
InChIInChI=1S/C23H46/c1-9-12-13-14-17-23(15-10-2,16-11-3)21(18-20(4)5)19-22(6,7)8/h19-20H,9-18H2,1-8H3/b21-19+
InChIKeyYREYIFFHHAVRNI-XUTLUUPISA-N
MW322.62 g/mol
LogP8.56
Rot. Bonds12

About (E)-2,2-dimethyl-4-(2-methylpropyl)-5,5-dipropylundec-3-ene

(E)-2,2-dimethyl-4-(2-methylpropyl)-5,5-dipropylundec-3-ene (PubChem CID 14195733) has the molecular formula C23H46 and a molecular weight of 322.62 g/mol. Its IUPAC name is (E)-2,2-dimethyl-4-(2-methylpropyl)-5,5-dipropylundec-3-ene.

Molecular Properties

Compound Name(E)-2,2-dimethyl-4-(2-methylpropyl)-5,5-dipropylundec-3-ene
PubChem CID14195733
Molecular FormulaC23H46
Molecular Weight322.62 g/mol
Exact Mass322.36
IUPAC Name(E)-2,2-dimethyl-4-(2-methylpropyl)-5,5-dipropylundec-3-ene
SMILESCCCCCCC(CCC)(CCC)/C(=C/C(C)(C)C)CC(C)C
InChIInChI=1S/C23H46/c1-9-12-13-14-17-23(15-10-2,16-11-3)21(18-20(4)5)19-22(6,7)8/h19-20H,9-18H2,1-8H3/b21-19+
InChIKeyYREYIFFHHAVRNI-XUTLUUPISA-N
XLogP8.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.62
LogP ≤ 58.56
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'}

Analyze (E)-2,2-dimethyl-4-(2-methylpropyl)-5,5-dipropylundec-3-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-2,2-dimethyl-4-(2-methylpropyl)-5,5-dipropylundec-3-ene?
The IUPAC name of (E)-2,2-dimethyl-4-(2-methylpropyl)-5,5-dipropylundec-3-ene (CID 14195733) is (E)-2,2-dimethyl-4-(2-methylpropyl)-5,5-dipropylundec-3-ene.
What is the SMILES notation for (E)-2,2-dimethyl-4-(2-methylpropyl)-5,5-dipropylundec-3-ene?
The canonical SMILES for (E)-2,2-dimethyl-4-(2-methylpropyl)-5,5-dipropylundec-3-ene is CCCCCCC(CCC)(CCC)/C(=C/C(C)(C)C)CC(C)C.
What is the InChIKey of (E)-2,2-dimethyl-4-(2-methylpropyl)-5,5-dipropylundec-3-ene?
The InChIKey is YREYIFFHHAVRNI-XUTLUUPISA-N. The full InChI is InChI=1S/C23H46/c1-9-12-13-14-17-23(15-10-2,16-11-3)21(18-20(4)5)19-22(6,7)8/h19-20H,9-18H2,1-8H3/b21-19+.
What are the key properties of (E)-2,2-dimethyl-4-(2-methylpropyl)-5,5-dipropylundec-3-ene?
(E)-2,2-dimethyl-4-(2-methylpropyl)-5,5-dipropylundec-3-ene has a molecular weight of 322.62 g/mol, XLogP of 8.56, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2,2-dimethyl-4-(2-methylpropyl)-5,5-dipropylundec-3-ene is sourced from PubChem (CID 14195733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).