3-chloropropyl-(3,5-dimethylcyclohexyl)oxy-dimethylsilane

C13H27ClOSi — CID 554584

IUPAC3-chloropropyl-(3,5-dimethylcyclohexyl)oxy-dimethylsilane
SMILESCC1CC(C)CC(O[Si](C)(C)CCCCl)C1
InChIInChI=1S/C13H27ClOSi/c1-11-8-12(2)10-13(9-11)15-16(3,4)7-5-6-14/h11-13H,5-10H2,1-4H3
InChIKeyTWRYBQRLHOKQHK-UHFFFAOYSA-N
MW262.90 g/mol
LogP4.66
Rot. Bonds5

About 3-chloropropyl-(3,5-dimethylcyclohexyl)oxy-dimethylsilane

3-chloropropyl-(3,5-dimethylcyclohexyl)oxy-dimethylsilane (PubChem CID 554584) has the molecular formula C13H27ClOSi and a molecular weight of 262.90 g/mol. Its IUPAC name is 3-chloropropyl-(3,5-dimethylcyclohexyl)oxy-dimethylsilane.

Molecular Properties

Compound Name3-chloropropyl-(3,5-dimethylcyclohexyl)oxy-dimethylsilane
PubChem CID554584
Molecular FormulaC13H27ClOSi
Molecular Weight262.90 g/mol
Exact Mass262.15
IUPAC Name3-chloropropyl-(3,5-dimethylcyclohexyl)oxy-dimethylsilane
SMILESCC1CC(C)CC(O[Si](C)(C)CCCCl)C1
InChIInChI=1S/C13H27ClOSi/c1-11-8-12(2)10-13(9-11)15-16(3,4)7-5-6-14/h11-13H,5-10H2,1-4H3
InChIKeyTWRYBQRLHOKQHK-UHFFFAOYSA-N
XLogP4.66
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.90
LogP ≤ 54.66
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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Related Compounds

1-Trimethylsilyloxy-3,5-dimethylcyclohexane
CID 588579
2-Ethyl-1-dimethyl(3-chloropropyl)silyloxycyclohexane
CID 554574
3,5-Dimethyl-1-dimethyl(dichloromethyl)silyloxycyclohexane
CID 554795
3,5-Dimethyl-1-(dimethyl(chloromethyl)silyloxy)cyclohexane
CID 554802
6-Ethyl-3-dimethyl(3-chloropropyl)silyloxyoctane
CID 564756
1-Chloromethyl-1-(3,5-dimethylcyclohexyloxy)-1-silacyclohexane
CID 614404
3,5-Dimethyl-1-diisopropylsilyloxycyclohexane
CID 6329055
[(3,5-Dimethylcyclohexyl)oxy](dimethyl)silane
CID 6329361

Frequently Asked Questions

What is the IUPAC name of 3-chloropropyl-(3,5-dimethylcyclohexyl)oxy-dimethylsilane?
The IUPAC name of 3-chloropropyl-(3,5-dimethylcyclohexyl)oxy-dimethylsilane (CID 554584) is 3-chloropropyl-(3,5-dimethylcyclohexyl)oxy-dimethylsilane.
What is the SMILES notation for 3-chloropropyl-(3,5-dimethylcyclohexyl)oxy-dimethylsilane?
The canonical SMILES for 3-chloropropyl-(3,5-dimethylcyclohexyl)oxy-dimethylsilane is CC1CC(C)CC(O[Si](C)(C)CCCCl)C1.
What is the InChIKey of 3-chloropropyl-(3,5-dimethylcyclohexyl)oxy-dimethylsilane?
The InChIKey is TWRYBQRLHOKQHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27ClOSi/c1-11-8-12(2)10-13(9-11)15-16(3,4)7-5-6-14/h11-13H,5-10H2,1-4H3.
What are the key properties of 3-chloropropyl-(3,5-dimethylcyclohexyl)oxy-dimethylsilane?
3-chloropropyl-(3,5-dimethylcyclohexyl)oxy-dimethylsilane has a molecular weight of 262.90 g/mol, XLogP of 4.66, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloropropyl-(3,5-dimethylcyclohexyl)oxy-dimethylsilane is sourced from PubChem (CID 554584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).