bis(1-bicyclo[2.2.1]heptanyl)-(oxan-2-yl)silane

C19H32OSi — CID 173417479

IUPACbis(1-bicyclo[2.2.1]heptanyl)-(oxan-2-yl)silane
SMILESC1CCC([SiH](C23CCC(CC2)C3)C23CCC(CC2)C3)OC1
InChIInChI=1S/C19H32OSi/c1-2-12-20-17(3-1)21(18-8-4-15(13-18)5-9-18)19-10-6-16(14-19)7-11-19/h15-17,21H,1-14H2
InChIKeyFWZJIGHJTJXYIB-UHFFFAOYSA-N
MW304.55 g/mol
LogP4.99
Rot. Bonds3

About bis(1-bicyclo[2.2.1]heptanyl)-(oxan-2-yl)silane

bis(1-bicyclo[2.2.1]heptanyl)-(oxan-2-yl)silane (PubChem CID 173417479) has the molecular formula C19H32OSi and a molecular weight of 304.55 g/mol. Its IUPAC name is bis(1-bicyclo[2.2.1]heptanyl)-(oxan-2-yl)silane.

Molecular Properties

Compound Namebis(1-bicyclo[2.2.1]heptanyl)-(oxan-2-yl)silane
PubChem CID173417479
Molecular FormulaC19H32OSi
Molecular Weight304.55 g/mol
Exact Mass304.22
IUPAC Namebis(1-bicyclo[2.2.1]heptanyl)-(oxan-2-yl)silane
SMILESC1CCC([SiH](C23CCC(CC2)C3)C23CCC(CC2)C3)OC1
InChIInChI=1S/C19H32OSi/c1-2-12-20-17(3-1)21(18-8-4-15(13-18)5-9-18)19-10-6-16(14-19)7-11-19/h15-17,21H,1-14H2
InChIKeyFWZJIGHJTJXYIB-UHFFFAOYSA-N
XLogP4.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.55
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(1-bicyclo[2.2.1]heptanyl)-(oxan-2-yl)silane?
The IUPAC name of bis(1-bicyclo[2.2.1]heptanyl)-(oxan-2-yl)silane (CID 173417479) is bis(1-bicyclo[2.2.1]heptanyl)-(oxan-2-yl)silane.
What is the SMILES notation for bis(1-bicyclo[2.2.1]heptanyl)-(oxan-2-yl)silane?
The canonical SMILES for bis(1-bicyclo[2.2.1]heptanyl)-(oxan-2-yl)silane is C1CCC([SiH](C23CCC(CC2)C3)C23CCC(CC2)C3)OC1.
What is the InChIKey of bis(1-bicyclo[2.2.1]heptanyl)-(oxan-2-yl)silane?
The InChIKey is FWZJIGHJTJXYIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32OSi/c1-2-12-20-17(3-1)21(18-8-4-15(13-18)5-9-18)19-10-6-16(14-19)7-11-19/h15-17,21H,1-14H2.
What are the key properties of bis(1-bicyclo[2.2.1]heptanyl)-(oxan-2-yl)silane?
bis(1-bicyclo[2.2.1]heptanyl)-(oxan-2-yl)silane has a molecular weight of 304.55 g/mol, XLogP of 4.99, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-bicyclo[2.2.1]heptanyl)-(oxan-2-yl)silane is sourced from PubChem (CID 173417479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).