7-methoxy-1,5-dimethyl-3-(2-methylprop-2-enyl)-3-borabicyclo[3.3.1]non-6-ene

C15H25BO — CID 23269897

IUPAC7-methoxy-1,5-dimethyl-3-(2-methylprop-2-enyl)-3-borabicyclo[3.3.1]non-6-ene
SMILESC=C(C)CB1CC2(C)C=C(OC)CC(C)(C1)C2
InChIInChI=1S/C15H25BO/c1-12(2)8-16-10-14(3)6-13(17-5)7-15(4,9-14)11-16/h6H,1,7-11H2,2-5H3
InChIKeyCWWXNVAXYCBAEJ-UHFFFAOYSA-N
MW232.18 g/mol
LogP4.41
Rot. Bonds3

About 7-methoxy-1,5-dimethyl-3-(2-methylprop-2-enyl)-3-borabicyclo[3.3.1]non-6-ene

7-methoxy-1,5-dimethyl-3-(2-methylprop-2-enyl)-3-borabicyclo[3.3.1]non-6-ene (PubChem CID 23269897) has the molecular formula C15H25BO and a molecular weight of 232.18 g/mol. Its IUPAC name is 7-methoxy-1,5-dimethyl-3-(2-methylprop-2-enyl)-3-borabicyclo[3.3.1]non-6-ene.

Molecular Properties

Compound Name7-methoxy-1,5-dimethyl-3-(2-methylprop-2-enyl)-3-borabicyclo[3.3.1]non-6-ene
PubChem CID23269897
Molecular FormulaC15H25BO
Molecular Weight232.18 g/mol
Exact Mass232.20
IUPAC Name7-methoxy-1,5-dimethyl-3-(2-methylprop-2-enyl)-3-borabicyclo[3.3.1]non-6-ene
SMILESC=C(C)CB1CC2(C)C=C(OC)CC(C)(C1)C2
InChIInChI=1S/C15H25BO/c1-12(2)8-16-10-14(3)6-13(17-5)7-15(4,9-14)11-16/h6H,1,7-11H2,2-5H3
InChIKeyCWWXNVAXYCBAEJ-UHFFFAOYSA-N
XLogP4.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.18
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 7-methoxy-1,5-dimethyl-3-(2-methylprop-2-enyl)-3-borabicyclo[3.3.1]non-6-ene with MolForge

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

Launch Full Analysis

Related Compounds

1-Methoxy-4,4-dimethyl-cyclohex-1-ene
CID 558759
7-Methoxy-3-allyl-6-methyl-3-borabicyclo[3.3.1]non-6-ene
CID 12536902
7-Ethoxy-3-allyl-6-methyl-3-borabicyclo[3.3.1]non-6-ene
CID 12536903
7-Methoxy-3-allyl-3-borabicyclo[3.3.1]non-6-ene
CID 129808711
7-Ethoxy-1,5-dimethyl-3-(2-methylprop-2-enyl)-3-borabicyclo[3.3.1]non-6-ene
CID 134890547
7-ethoxy-1,5-dimethyl-3-[(1Z)-4-methylpenta-1,4-dienyl]-3-borabicyclo[3.3.1]non-6-ene
CID 134906240
7-ethoxy-3-[(1E)-2-ethoxy-4-methylpenta-1,4-dienyl]-1,5-dimethyl-3-borabicyclo[3.3.1]non-6-ene
CID 134906342
7-methoxy-1,5-dimethyl-3-[(1Z)-4-methylpenta-1,4-dienyl]-3-borabicyclo[3.3.1]non-6-ene
CID 134906641
3-[(1E)-2-ethoxy-4-methylpenta-1,4-dienyl]-7-methoxy-1,5-dimethyl-3-borabicyclo[3.3.1]non-6-ene
CID 134906642
1-Methoxy-3,5,5-trimethylcyclohexene
CID 20071907
1-Methoxy-3,3,5-trimethylcyclohexene
CID 54507357
1-Methoxy-3,3,5,5-tetramethylcyclohex-1-ene
CID 71397574

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-1,5-dimethyl-3-(2-methylprop-2-enyl)-3-borabicyclo[3.3.1]non-6-ene?
The IUPAC name of 7-methoxy-1,5-dimethyl-3-(2-methylprop-2-enyl)-3-borabicyclo[3.3.1]non-6-ene (CID 23269897) is 7-methoxy-1,5-dimethyl-3-(2-methylprop-2-enyl)-3-borabicyclo[3.3.1]non-6-ene.
What is the SMILES notation for 7-methoxy-1,5-dimethyl-3-(2-methylprop-2-enyl)-3-borabicyclo[3.3.1]non-6-ene?
The canonical SMILES for 7-methoxy-1,5-dimethyl-3-(2-methylprop-2-enyl)-3-borabicyclo[3.3.1]non-6-ene is C=C(C)CB1CC2(C)C=C(OC)CC(C)(C1)C2.
What is the InChIKey of 7-methoxy-1,5-dimethyl-3-(2-methylprop-2-enyl)-3-borabicyclo[3.3.1]non-6-ene?
The InChIKey is CWWXNVAXYCBAEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25BO/c1-12(2)8-16-10-14(3)6-13(17-5)7-15(4,9-14)11-16/h6H,1,7-11H2,2-5H3.
What are the key properties of 7-methoxy-1,5-dimethyl-3-(2-methylprop-2-enyl)-3-borabicyclo[3.3.1]non-6-ene?
7-methoxy-1,5-dimethyl-3-(2-methylprop-2-enyl)-3-borabicyclo[3.3.1]non-6-ene has a molecular weight of 232.18 g/mol, XLogP of 4.41, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-1,5-dimethyl-3-(2-methylprop-2-enyl)-3-borabicyclo[3.3.1]non-6-ene is sourced from PubChem (CID 23269897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).