benzyl-dimethyl-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]silane

C19H30OSi — CID 91697336

IUPACbenzyl-dimethyl-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]silane
SMILESCC1(C)C2CCC1(C)C(O[Si](C)(C)Cc1ccccc1)C2
InChIInChI=1S/C19H30OSi/c1-18(2)16-11-12-19(18,3)17(13-16)20-21(4,5)14-15-9-7-6-8-10-15/h6-10,16-17H,11-14H2,1-5H3
InChIKeyVSNCEBGYQWKTCT-UHFFFAOYSA-N
MW302.53 g/mol
LogP5.20
Rot. Bonds4

About benzyl-dimethyl-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]silane

benzyl-dimethyl-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]silane (PubChem CID 91697336) has the molecular formula C19H30OSi and a molecular weight of 302.53 g/mol. Its IUPAC name is benzyl-dimethyl-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]silane.

Molecular Properties

Compound Namebenzyl-dimethyl-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]silane
PubChem CID91697336
Molecular FormulaC19H30OSi
Molecular Weight302.53 g/mol
Exact Mass302.21
IUPAC Namebenzyl-dimethyl-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]silane
SMILESCC1(C)C2CCC1(C)C(O[Si](C)(C)Cc1ccccc1)C2
InChIInChI=1S/C19H30OSi/c1-18(2)16-11-12-19(18,3)17(13-16)20-21(4,5)14-15-9-7-6-8-10-15/h6-10,16-17H,11-14H2,1-5H3
InChIKeyVSNCEBGYQWKTCT-UHFFFAOYSA-N
XLogP5.20
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.53
LogP ≤ 55.20
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 benzyl-dimethyl-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]silane?
The IUPAC name of benzyl-dimethyl-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]silane (CID 91697336) is benzyl-dimethyl-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]silane.
What is the SMILES notation for benzyl-dimethyl-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]silane?
The canonical SMILES for benzyl-dimethyl-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]silane is CC1(C)C2CCC1(C)C(O[Si](C)(C)Cc1ccccc1)C2.
What is the InChIKey of benzyl-dimethyl-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]silane?
The InChIKey is VSNCEBGYQWKTCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30OSi/c1-18(2)16-11-12-19(18,3)17(13-16)20-21(4,5)14-15-9-7-6-8-10-15/h6-10,16-17H,11-14H2,1-5H3.
What are the key properties of benzyl-dimethyl-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]silane?
benzyl-dimethyl-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]silane has a molecular weight of 302.53 g/mol, XLogP of 5.20, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-dimethyl-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]silane is sourced from PubChem (CID 91697336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).