cycloheptylmethyl-diethoxy-methylsilane

C13H28O2Si — CID 18413007

IUPACcycloheptylmethyl-diethoxy-methylsilane
SMILESCCO[Si](C)(CC1CCCCCC1)OCC
InChIInChI=1S/C13H28O2Si/c1-4-14-16(3,15-5-2)12-13-10-8-6-7-9-11-13/h13H,4-12H2,1-3H3
InChIKeyOLPPWTAZEQBTSD-UHFFFAOYSA-N
MW244.45 g/mol
LogP4.10
Rot. Bonds6

About cycloheptylmethyl-diethoxy-methylsilane

cycloheptylmethyl-diethoxy-methylsilane (PubChem CID 18413007) has the molecular formula C13H28O2Si and a molecular weight of 244.45 g/mol. Its IUPAC name is cycloheptylmethyl-diethoxy-methylsilane.

Molecular Properties

Compound Namecycloheptylmethyl-diethoxy-methylsilane
PubChem CID18413007
Molecular FormulaC13H28O2Si
Molecular Weight244.45 g/mol
Exact Mass244.19
IUPAC Namecycloheptylmethyl-diethoxy-methylsilane
SMILESCCO[Si](C)(CC1CCCCCC1)OCC
InChIInChI=1S/C13H28O2Si/c1-4-14-16(3,15-5-2)12-13-10-8-6-7-9-11-13/h13H,4-12H2,1-3H3
InChIKeyOLPPWTAZEQBTSD-UHFFFAOYSA-N
XLogP4.10
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.45
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 cycloheptylmethyl-diethoxy-methylsilane?
The IUPAC name of cycloheptylmethyl-diethoxy-methylsilane (CID 18413007) is cycloheptylmethyl-diethoxy-methylsilane.
What is the SMILES notation for cycloheptylmethyl-diethoxy-methylsilane?
The canonical SMILES for cycloheptylmethyl-diethoxy-methylsilane is CCO[Si](C)(CC1CCCCCC1)OCC.
What is the InChIKey of cycloheptylmethyl-diethoxy-methylsilane?
The InChIKey is OLPPWTAZEQBTSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O2Si/c1-4-14-16(3,15-5-2)12-13-10-8-6-7-9-11-13/h13H,4-12H2,1-3H3.
What are the key properties of cycloheptylmethyl-diethoxy-methylsilane?
cycloheptylmethyl-diethoxy-methylsilane has a molecular weight of 244.45 g/mol, XLogP of 4.10, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cycloheptylmethyl-diethoxy-methylsilane is sourced from PubChem (CID 18413007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).