6,6-dimethyl-2-(2-propoxyethyl)bicyclo[3.1.1]hept-2-ene

C14H24O — CID 15410424

IUPAC6,6-dimethyl-2-(2-propoxyethyl)bicyclo[3.1.1]hept-2-ene
SMILESCCCOCCC1=CCC2CC1C2(C)C
InChIInChI=1S/C14H24O/c1-4-8-15-9-7-11-5-6-12-10-13(11)14(12,2)3/h5,12-13H,4,6-10H2,1-3H3
InChIKeyWTSLBPFZKIMMLD-UHFFFAOYSA-N
MW208.34 g/mol
LogP3.80
Rot. Bonds5

About 6,6-dimethyl-2-(2-propoxyethyl)bicyclo[3.1.1]hept-2-ene

6,6-dimethyl-2-(2-propoxyethyl)bicyclo[3.1.1]hept-2-ene (PubChem CID 15410424) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is 6,6-dimethyl-2-(2-propoxyethyl)bicyclo[3.1.1]hept-2-ene.

Molecular Properties

Compound Name6,6-dimethyl-2-(2-propoxyethyl)bicyclo[3.1.1]hept-2-ene
PubChem CID15410424
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Name6,6-dimethyl-2-(2-propoxyethyl)bicyclo[3.1.1]hept-2-ene
SMILESCCCOCCC1=CCC2CC1C2(C)C
InChIInChI=1S/C14H24O/c1-4-8-15-9-7-11-5-6-12-10-13(11)14(12,2)3/h5,12-13H,4,6-10H2,1-3H3
InChIKeyWTSLBPFZKIMMLD-UHFFFAOYSA-N
XLogP3.80
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.34
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 6,6-dimethyl-2-(2-propoxyethyl)bicyclo[3.1.1]hept-2-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 6,6-dimethyl-2-(2-propoxyethyl)bicyclo[3.1.1]hept-2-ene?
The IUPAC name of 6,6-dimethyl-2-(2-propoxyethyl)bicyclo[3.1.1]hept-2-ene (CID 15410424) is 6,6-dimethyl-2-(2-propoxyethyl)bicyclo[3.1.1]hept-2-ene.
What is the SMILES notation for 6,6-dimethyl-2-(2-propoxyethyl)bicyclo[3.1.1]hept-2-ene?
The canonical SMILES for 6,6-dimethyl-2-(2-propoxyethyl)bicyclo[3.1.1]hept-2-ene is CCCOCCC1=CCC2CC1C2(C)C.
What is the InChIKey of 6,6-dimethyl-2-(2-propoxyethyl)bicyclo[3.1.1]hept-2-ene?
The InChIKey is WTSLBPFZKIMMLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O/c1-4-8-15-9-7-11-5-6-12-10-13(11)14(12,2)3/h5,12-13H,4,6-10H2,1-3H3.
What are the key properties of 6,6-dimethyl-2-(2-propoxyethyl)bicyclo[3.1.1]hept-2-ene?
6,6-dimethyl-2-(2-propoxyethyl)bicyclo[3.1.1]hept-2-ene has a molecular weight of 208.34 g/mol, XLogP of 3.80, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-2-(2-propoxyethyl)bicyclo[3.1.1]hept-2-ene is sourced from PubChem (CID 15410424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).