3-benzyl-2,2-dimethyl-3,3a,4,5,6,6a-hexahydrocyclopenta[d]oxasilole

C15H22OSi — CID 73223206

IUPAC3-benzyl-2,2-dimethyl-3,3a,4,5,6,6a-hexahydrocyclopenta[d]oxasilole
SMILESC[Si]1(C)OC2CCCC2C1Cc1ccccc1
InChIInChI=1S/C15H22OSi/c1-17(2)15(11-12-7-4-3-5-8-12)13-9-6-10-14(13)16-17/h3-5,7-8,13-15H,6,9-11H2,1-2H3
InChIKeyDPCNJYWITGVTPZ-UHFFFAOYSA-N
MW246.43 g/mol
LogP4.00
Rot. Bonds2

About 3-benzyl-2,2-dimethyl-3,3a,4,5,6,6a-hexahydrocyclopenta[d]oxasilole

3-benzyl-2,2-dimethyl-3,3a,4,5,6,6a-hexahydrocyclopenta[d]oxasilole (PubChem CID 73223206) has the molecular formula C15H22OSi and a molecular weight of 246.43 g/mol. Its IUPAC name is 3-benzyl-2,2-dimethyl-3,3a,4,5,6,6a-hexahydrocyclopenta[d]oxasilole.

Molecular Properties

Compound Name3-benzyl-2,2-dimethyl-3,3a,4,5,6,6a-hexahydrocyclopenta[d]oxasilole
PubChem CID73223206
Molecular FormulaC15H22OSi
Molecular Weight246.43 g/mol
Exact Mass246.14
IUPAC Name3-benzyl-2,2-dimethyl-3,3a,4,5,6,6a-hexahydrocyclopenta[d]oxasilole
SMILESC[Si]1(C)OC2CCCC2C1Cc1ccccc1
InChIInChI=1S/C15H22OSi/c1-17(2)15(11-12-7-4-3-5-8-12)13-9-6-10-14(13)16-17/h3-5,7-8,13-15H,6,9-11H2,1-2H3
InChIKeyDPCNJYWITGVTPZ-UHFFFAOYSA-N
XLogP4.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.43
LogP ≤ 54.00
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 3-benzyl-2,2-dimethyl-3,3a,4,5,6,6a-hexahydrocyclopenta[d]oxasilole?
The IUPAC name of 3-benzyl-2,2-dimethyl-3,3a,4,5,6,6a-hexahydrocyclopenta[d]oxasilole (CID 73223206) is 3-benzyl-2,2-dimethyl-3,3a,4,5,6,6a-hexahydrocyclopenta[d]oxasilole.
What is the SMILES notation for 3-benzyl-2,2-dimethyl-3,3a,4,5,6,6a-hexahydrocyclopenta[d]oxasilole?
The canonical SMILES for 3-benzyl-2,2-dimethyl-3,3a,4,5,6,6a-hexahydrocyclopenta[d]oxasilole is C[Si]1(C)OC2CCCC2C1Cc1ccccc1.
What is the InChIKey of 3-benzyl-2,2-dimethyl-3,3a,4,5,6,6a-hexahydrocyclopenta[d]oxasilole?
The InChIKey is DPCNJYWITGVTPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22OSi/c1-17(2)15(11-12-7-4-3-5-8-12)13-9-6-10-14(13)16-17/h3-5,7-8,13-15H,6,9-11H2,1-2H3.
What are the key properties of 3-benzyl-2,2-dimethyl-3,3a,4,5,6,6a-hexahydrocyclopenta[d]oxasilole?
3-benzyl-2,2-dimethyl-3,3a,4,5,6,6a-hexahydrocyclopenta[d]oxasilole has a molecular weight of 246.43 g/mol, XLogP of 4.00, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-2,2-dimethyl-3,3a,4,5,6,6a-hexahydrocyclopenta[d]oxasilole is sourced from PubChem (CID 73223206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).