(7,7-dichloro-2,6-dimethyl-1-bicyclo[4.1.0]heptanyl)oxy-trimethylsilane

C12H22Cl2OSi — CID 12031185

IUPAC(7,7-dichloro-2,6-dimethyl-1-bicyclo[4.1.0]heptanyl)oxy-trimethylsilane
SMILESCC1CCCC2(C)C(Cl)(Cl)C12O[Si](C)(C)C
InChIInChI=1S/C12H22Cl2OSi/c1-9-7-6-8-10(2)11(9,12(10,13)14)15-16(3,4)5/h9H,6-8H2,1-5H3
InChIKeyQEHHGFHWGNTBCE-UHFFFAOYSA-N
MW281.30 g/mol
LogP4.59
Rot. Bonds2

About (7,7-dichloro-2,6-dimethyl-1-bicyclo[4.1.0]heptanyl)oxy-trimethylsilane

(7,7-dichloro-2,6-dimethyl-1-bicyclo[4.1.0]heptanyl)oxy-trimethylsilane (PubChem CID 12031185) has the molecular formula C12H22Cl2OSi and a molecular weight of 281.30 g/mol. Its IUPAC name is (7,7-dichloro-2,6-dimethyl-1-bicyclo[4.1.0]heptanyl)oxy-trimethylsilane.

Molecular Properties

Compound Name(7,7-dichloro-2,6-dimethyl-1-bicyclo[4.1.0]heptanyl)oxy-trimethylsilane
PubChem CID12031185
Molecular FormulaC12H22Cl2OSi
Molecular Weight281.30 g/mol
Exact Mass280.08
IUPAC Name(7,7-dichloro-2,6-dimethyl-1-bicyclo[4.1.0]heptanyl)oxy-trimethylsilane
SMILESCC1CCCC2(C)C(Cl)(Cl)C12O[Si](C)(C)C
InChIInChI=1S/C12H22Cl2OSi/c1-9-7-6-8-10(2)11(9,12(10,13)14)15-16(3,4)5/h9H,6-8H2,1-5H3
InChIKeyQEHHGFHWGNTBCE-UHFFFAOYSA-N
XLogP4.59
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.30
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (7,7-dichloro-2,6-dimethyl-1-bicyclo[4.1.0]heptanyl)oxy-trimethylsilane?
The IUPAC name of (7,7-dichloro-2,6-dimethyl-1-bicyclo[4.1.0]heptanyl)oxy-trimethylsilane (CID 12031185) is (7,7-dichloro-2,6-dimethyl-1-bicyclo[4.1.0]heptanyl)oxy-trimethylsilane.
What is the SMILES notation for (7,7-dichloro-2,6-dimethyl-1-bicyclo[4.1.0]heptanyl)oxy-trimethylsilane?
The canonical SMILES for (7,7-dichloro-2,6-dimethyl-1-bicyclo[4.1.0]heptanyl)oxy-trimethylsilane is CC1CCCC2(C)C(Cl)(Cl)C12O[Si](C)(C)C.
What is the InChIKey of (7,7-dichloro-2,6-dimethyl-1-bicyclo[4.1.0]heptanyl)oxy-trimethylsilane?
The InChIKey is QEHHGFHWGNTBCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22Cl2OSi/c1-9-7-6-8-10(2)11(9,12(10,13)14)15-16(3,4)5/h9H,6-8H2,1-5H3.
What are the key properties of (7,7-dichloro-2,6-dimethyl-1-bicyclo[4.1.0]heptanyl)oxy-trimethylsilane?
(7,7-dichloro-2,6-dimethyl-1-bicyclo[4.1.0]heptanyl)oxy-trimethylsilane has a molecular weight of 281.30 g/mol, XLogP of 4.59, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7,7-dichloro-2,6-dimethyl-1-bicyclo[4.1.0]heptanyl)oxy-trimethylsilane is sourced from PubChem (CID 12031185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).