trimethyl-[(3-prop-2-enyl-3-borabicyclo[3.3.1]non-6-en-7-yl)methoxy]silane

C15H27BOSi — CID 134906639

IUPACtrimethyl-[(3-prop-2-enyl-3-borabicyclo[3.3.1]non-6-en-7-yl)methoxy]silane
SMILESC=CCB1CC2C=C(CO[Si](C)(C)C)CC(C1)C2
InChIInChI=1S/C15H27BOSi/c1-5-6-16-10-13-7-14(11-16)9-15(8-13)12-17-18(2,3)4/h5,8,13-14H,1,6-7,9-12H2,2-4H3
InChIKeyMRYROLISZGHMQD-UHFFFAOYSA-N
MW262.28 g/mol
LogP4.48
Rot. Bonds5

About trimethyl-[(3-prop-2-enyl-3-borabicyclo[3.3.1]non-6-en-7-yl)methoxy]silane

trimethyl-[(3-prop-2-enyl-3-borabicyclo[3.3.1]non-6-en-7-yl)methoxy]silane (PubChem CID 134906639) has the molecular formula C15H27BOSi and a molecular weight of 262.28 g/mol. Its IUPAC name is trimethyl-[(3-prop-2-enyl-3-borabicyclo[3.3.1]non-6-en-7-yl)methoxy]silane.

Molecular Properties

Compound Nametrimethyl-[(3-prop-2-enyl-3-borabicyclo[3.3.1]non-6-en-7-yl)methoxy]silane
PubChem CID134906639
Molecular FormulaC15H27BOSi
Molecular Weight262.28 g/mol
Exact Mass262.19
IUPAC Nametrimethyl-[(3-prop-2-enyl-3-borabicyclo[3.3.1]non-6-en-7-yl)methoxy]silane
SMILESC=CCB1CC2C=C(CO[Si](C)(C)C)CC(C1)C2
InChIInChI=1S/C15H27BOSi/c1-5-6-16-10-13-7-14(11-16)9-15(8-13)12-17-18(2,3)4/h5,8,13-14H,1,6-7,9-12H2,2-4H3
InChIKeyMRYROLISZGHMQD-UHFFFAOYSA-N
XLogP4.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 54.48
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 trimethyl-[(3-prop-2-enyl-3-borabicyclo[3.3.1]non-6-en-7-yl)methoxy]silane 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 trimethyl-[(3-prop-2-enyl-3-borabicyclo[3.3.1]non-6-en-7-yl)methoxy]silane?
The IUPAC name of trimethyl-[(3-prop-2-enyl-3-borabicyclo[3.3.1]non-6-en-7-yl)methoxy]silane (CID 134906639) is trimethyl-[(3-prop-2-enyl-3-borabicyclo[3.3.1]non-6-en-7-yl)methoxy]silane.
What is the SMILES notation for trimethyl-[(3-prop-2-enyl-3-borabicyclo[3.3.1]non-6-en-7-yl)methoxy]silane?
The canonical SMILES for trimethyl-[(3-prop-2-enyl-3-borabicyclo[3.3.1]non-6-en-7-yl)methoxy]silane is C=CCB1CC2C=C(CO[Si](C)(C)C)CC(C1)C2.
What is the InChIKey of trimethyl-[(3-prop-2-enyl-3-borabicyclo[3.3.1]non-6-en-7-yl)methoxy]silane?
The InChIKey is MRYROLISZGHMQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27BOSi/c1-5-6-16-10-13-7-14(11-16)9-15(8-13)12-17-18(2,3)4/h5,8,13-14H,1,6-7,9-12H2,2-4H3.
What are the key properties of trimethyl-[(3-prop-2-enyl-3-borabicyclo[3.3.1]non-6-en-7-yl)methoxy]silane?
trimethyl-[(3-prop-2-enyl-3-borabicyclo[3.3.1]non-6-en-7-yl)methoxy]silane has a molecular weight of 262.28 g/mol, XLogP of 4.48, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(3-prop-2-enyl-3-borabicyclo[3.3.1]non-6-en-7-yl)methoxy]silane is sourced from PubChem (CID 134906639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).