2-(1-chloropropyl)oxasilinane;2-methyloxasilinane

C12H27ClO2Si2 — CID 174108121

IUPAC2-(1-chloropropyl)oxasilinane;2-methyloxasilinane
SMILESCCC(Cl)[SiH]1CCCCO1.C[SiH]1CCCCO1
InChIInChI=1S/C7H15ClOSi.C5H12OSi/c1-2-7(8)10-6-4-3-5-9-10;1-7-5-3-2-4-6-7/h7,10H,2-6H2,1H3;7H,2-5H2,1H3
InChIKeyKQWJDYTWBXUYPX-UHFFFAOYSA-N
MW294.97 g/mol
LogP3.23
Rot. Bonds2

About 2-(1-chloropropyl)oxasilinane;2-methyloxasilinane

2-(1-chloropropyl)oxasilinane;2-methyloxasilinane (PubChem CID 174108121) has the molecular formula C12H27ClO2Si2 and a molecular weight of 294.97 g/mol. Its IUPAC name is 2-(1-chloropropyl)oxasilinane;2-methyloxasilinane.

Molecular Properties

Compound Name2-(1-chloropropyl)oxasilinane;2-methyloxasilinane
PubChem CID174108121
Molecular FormulaC12H27ClO2Si2
Molecular Weight294.97 g/mol
Exact Mass294.12
IUPAC Name2-(1-chloropropyl)oxasilinane;2-methyloxasilinane
SMILESCCC(Cl)[SiH]1CCCCO1.C[SiH]1CCCCO1
InChIInChI=1S/C7H15ClOSi.C5H12OSi/c1-2-7(8)10-6-4-3-5-9-10;1-7-5-3-2-4-6-7/h7,10H,2-6H2,1H3;7H,2-5H2,1H3
InChIKeyKQWJDYTWBXUYPX-UHFFFAOYSA-N
XLogP3.23
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.97
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2-(1-chloropropyl)oxasilinane;2-methyloxasilinane?
The IUPAC name of 2-(1-chloropropyl)oxasilinane;2-methyloxasilinane (CID 174108121) is 2-(1-chloropropyl)oxasilinane;2-methyloxasilinane.
What is the SMILES notation for 2-(1-chloropropyl)oxasilinane;2-methyloxasilinane?
The canonical SMILES for 2-(1-chloropropyl)oxasilinane;2-methyloxasilinane is CCC(Cl)[SiH]1CCCCO1.C[SiH]1CCCCO1.
What is the InChIKey of 2-(1-chloropropyl)oxasilinane;2-methyloxasilinane?
The InChIKey is KQWJDYTWBXUYPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15ClOSi.C5H12OSi/c1-2-7(8)10-6-4-3-5-9-10;1-7-5-3-2-4-6-7/h7,10H,2-6H2,1H3;7H,2-5H2,1H3.
What are the key properties of 2-(1-chloropropyl)oxasilinane;2-methyloxasilinane?
2-(1-chloropropyl)oxasilinane;2-methyloxasilinane has a molecular weight of 294.97 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-chloropropyl)oxasilinane;2-methyloxasilinane is sourced from PubChem (CID 174108121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).