5-ethyl-3,4,5-trimethylhept-3-ene

C12H24 — CID 57290595

IUPAC5-ethyl-3,4,5-trimethylhept-3-ene
SMILESCCC(C)=C(C)C(C)(CC)CC
InChIInChI=1S/C12H24/c1-7-10(4)11(5)12(6,8-2)9-3/h7-9H2,1-6H3
InChIKeyCDWWZFAUKNVLBS-UHFFFAOYSA-N
MW168.32 g/mol
LogP4.56
Rot. Bonds4

About 5-ethyl-3,4,5-trimethylhept-3-ene

5-ethyl-3,4,5-trimethylhept-3-ene (PubChem CID 57290595) has the molecular formula C12H24 and a molecular weight of 168.32 g/mol. Its IUPAC name is 5-ethyl-3,4,5-trimethylhept-3-ene.

Molecular Properties

Compound Name5-ethyl-3,4,5-trimethylhept-3-ene
PubChem CID57290595
Molecular FormulaC12H24
Molecular Weight168.32 g/mol
Exact Mass168.19
IUPAC Name5-ethyl-3,4,5-trimethylhept-3-ene
SMILESCCC(C)=C(C)C(C)(CC)CC
InChIInChI=1S/C12H24/c1-7-10(4)11(5)12(6,8-2)9-3/h7-9H2,1-6H3
InChIKeyCDWWZFAUKNVLBS-UHFFFAOYSA-N
XLogP4.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.32
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 5-ethyl-3,4,5-trimethylhept-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 5-ethyl-3,4,5-trimethylhept-3-ene?
The IUPAC name of 5-ethyl-3,4,5-trimethylhept-3-ene (CID 57290595) is 5-ethyl-3,4,5-trimethylhept-3-ene.
What is the SMILES notation for 5-ethyl-3,4,5-trimethylhept-3-ene?
The canonical SMILES for 5-ethyl-3,4,5-trimethylhept-3-ene is CCC(C)=C(C)C(C)(CC)CC.
What is the InChIKey of 5-ethyl-3,4,5-trimethylhept-3-ene?
The InChIKey is CDWWZFAUKNVLBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24/c1-7-10(4)11(5)12(6,8-2)9-3/h7-9H2,1-6H3.
What are the key properties of 5-ethyl-3,4,5-trimethylhept-3-ene?
5-ethyl-3,4,5-trimethylhept-3-ene has a molecular weight of 168.32 g/mol, XLogP of 4.56, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3,4,5-trimethylhept-3-ene is sourced from PubChem (CID 57290595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).