2-(2-chlorobutan-2-yl)oxasilinane

C8H17ClOSi — CID 173289645

IUPAC2-(2-chlorobutan-2-yl)oxasilinane
SMILESCCC(C)(Cl)[SiH]1CCCCO1
InChIInChI=1S/C8H17ClOSi/c1-3-8(2,9)11-7-5-4-6-10-11/h11H,3-7H2,1-2H3
InChIKeyYTPQHBBZKNEVEB-UHFFFAOYSA-N
MW192.76 g/mol
LogP2.47
Rot. Bonds2

About 2-(2-chlorobutan-2-yl)oxasilinane

2-(2-chlorobutan-2-yl)oxasilinane (PubChem CID 173289645) has the molecular formula C8H17ClOSi and a molecular weight of 192.76 g/mol. Its IUPAC name is 2-(2-chlorobutan-2-yl)oxasilinane.

Molecular Properties

Compound Name2-(2-chlorobutan-2-yl)oxasilinane
PubChem CID173289645
Molecular FormulaC8H17ClOSi
Molecular Weight192.76 g/mol
Exact Mass192.07
IUPAC Name2-(2-chlorobutan-2-yl)oxasilinane
SMILESCCC(C)(Cl)[SiH]1CCCCO1
InChIInChI=1S/C8H17ClOSi/c1-3-8(2,9)11-7-5-4-6-10-11/h11H,3-7H2,1-2H3
InChIKeyYTPQHBBZKNEVEB-UHFFFAOYSA-N
XLogP2.47
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.76
LogP ≤ 52.47
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

2-(2,3,3-trimethylbutan-2-yl)oxasilinane
CID 173240238
1-(oxasilinan-2-yl)propan-1-one
CID 173082161
1-(oxasilinan-2-yl)butan-1-one
CID 173082138
2-[3,4,4-trifluoro-2,3-dimethyl-1-(oxasilinan-2-yl)butan-2-yl]oxasilinane
CID 175187944
1-(oxasilinan-2-yl)pentan-1-one
CID 173082144
2-pent-1-en-2-yloxasilinane
CID 173042713
1-(oxasilinan-2-yl)octan-1-one
CID 173082141
1-(oxasilinan-2-yl)propan-1-amine
CID 173013581
2-(1-chloropropyl)oxasilinane;2-methyloxasilinane
CID 174108121
2-(1,1,2-trifluoropentan-3-yl)oxasilinane
CID 175589456
2-sulfanyloxasilinane
CID 173006045
2-methyloxasilinane;silicic acid
CID 173113818

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorobutan-2-yl)oxasilinane?
The IUPAC name of 2-(2-chlorobutan-2-yl)oxasilinane (CID 173289645) is 2-(2-chlorobutan-2-yl)oxasilinane.
What is the SMILES notation for 2-(2-chlorobutan-2-yl)oxasilinane?
The canonical SMILES for 2-(2-chlorobutan-2-yl)oxasilinane is CCC(C)(Cl)[SiH]1CCCCO1.
What is the InChIKey of 2-(2-chlorobutan-2-yl)oxasilinane?
The InChIKey is YTPQHBBZKNEVEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17ClOSi/c1-3-8(2,9)11-7-5-4-6-10-11/h11H,3-7H2,1-2H3.
What are the key properties of 2-(2-chlorobutan-2-yl)oxasilinane?
2-(2-chlorobutan-2-yl)oxasilinane has a molecular weight of 192.76 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorobutan-2-yl)oxasilinane is sourced from PubChem (CID 173289645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).