cyclohepten-1-yloxy-tri(propan-2-yl)silane

C16H32OSi — CID 12750413

IUPACcyclohepten-1-yloxy-tri(propan-2-yl)silane
SMILESCC(C)[Si](OC1=CCCCCC1)(C(C)C)C(C)C
InChIInChI=1S/C16H32OSi/c1-13(2)18(14(3)4,15(5)6)17-16-11-9-7-8-10-12-16/h11,13-15H,7-10,12H2,1-6H3
InChIKeyDXRSJHWVPAPVOO-UHFFFAOYSA-N
MW268.52 g/mol
LogP6.03
Rot. Bonds5

About cyclohepten-1-yloxy-tri(propan-2-yl)silane

cyclohepten-1-yloxy-tri(propan-2-yl)silane (PubChem CID 12750413) has the molecular formula C16H32OSi and a molecular weight of 268.52 g/mol. Its IUPAC name is cyclohepten-1-yloxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Namecyclohepten-1-yloxy-tri(propan-2-yl)silane
PubChem CID12750413
Molecular FormulaC16H32OSi
Molecular Weight268.52 g/mol
Exact Mass268.22
IUPAC Namecyclohepten-1-yloxy-tri(propan-2-yl)silane
SMILESCC(C)[Si](OC1=CCCCCC1)(C(C)C)C(C)C
InChIInChI=1S/C16H32OSi/c1-13(2)18(14(3)4,15(5)6)17-16-11-9-7-8-10-12-16/h11,13-15H,7-10,12H2,1-6H3
InChIKeyDXRSJHWVPAPVOO-UHFFFAOYSA-N
XLogP6.03
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.52
LogP ≤ 56.03
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 cyclohepten-1-yloxy-tri(propan-2-yl)silane?
The IUPAC name of cyclohepten-1-yloxy-tri(propan-2-yl)silane (CID 12750413) is cyclohepten-1-yloxy-tri(propan-2-yl)silane.
What is the SMILES notation for cyclohepten-1-yloxy-tri(propan-2-yl)silane?
The canonical SMILES for cyclohepten-1-yloxy-tri(propan-2-yl)silane is CC(C)[Si](OC1=CCCCCC1)(C(C)C)C(C)C.
What is the InChIKey of cyclohepten-1-yloxy-tri(propan-2-yl)silane?
The InChIKey is DXRSJHWVPAPVOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32OSi/c1-13(2)18(14(3)4,15(5)6)17-16-11-9-7-8-10-12-16/h11,13-15H,7-10,12H2,1-6H3.
What are the key properties of cyclohepten-1-yloxy-tri(propan-2-yl)silane?
cyclohepten-1-yloxy-tri(propan-2-yl)silane has a molecular weight of 268.52 g/mol, XLogP of 6.03, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohepten-1-yloxy-tri(propan-2-yl)silane is sourced from PubChem (CID 12750413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).