1,1,2-trimethylsilinane;hydrate

C8H20OSi — CID 174865246

IUPAC1,1,2-trimethylsilinane;hydrate
SMILESCC1CCCC[Si]1(C)C.O
InChIInChI=1S/C8H18Si.H2O/c1-8-6-4-5-7-9(8,2)3;/h8H,4-7H2,1-3H3;1H2
InChIKeyYSRHPGGVEDNXAC-UHFFFAOYSA-N
MW160.33 g/mol
LogP2.44
Rot. Bonds

About 1,1,2-trimethylsilinane;hydrate

1,1,2-trimethylsilinane;hydrate (PubChem CID 174865246) has the molecular formula C8H20OSi and a molecular weight of 160.33 g/mol. Its IUPAC name is 1,1,2-trimethylsilinane;hydrate.

Molecular Properties

Compound Name1,1,2-trimethylsilinane;hydrate
PubChem CID174865246
Molecular FormulaC8H20OSi
Molecular Weight160.33 g/mol
Exact Mass160.13
IUPAC Name1,1,2-trimethylsilinane;hydrate
SMILESCC1CCCC[Si]1(C)C.O
InChIInChI=1S/C8H18Si.H2O/c1-8-6-4-5-7-9(8,2)3;/h8H,4-7H2,1-3H3;1H2
InChIKeyYSRHPGGVEDNXAC-UHFFFAOYSA-N
XLogP2.44
TPSA31.50 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.33
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

molecular hydrogen;1,1,2-trimethylsilinane
CID 174301801
carbanide;titanium;1,1,2-trimethylsilinane
CID 174291165
benzene;bis(1,1,2-trimethylsilinane)
CID 174956431
acetic acid;guanidine;1,1,2-trimethylsilinane
CID 174690834
(1S,2S)-1-chloro-1,2-dimethylsilinane
CID 91704031
1-phenylpiperidine;1,1,2-trimethylsilinane
CID 174570050
1-ethenyl-2-methylbenzene;1,1,2-trimethylsilinane
CID 174747704
N-prop-2-enylacetamide;1,1,2-trimethylsilinane
CID 174520229
(2R)-1,1,2,3-tetramethylsilinane
CID 140812433
2-fluoro-1-methylcyclohexa-3,5-diene-1,3-dicarboxylic acid;1,1,2-trimethylsilinane
CID 174694788
(2R)-1-ethyl-1,2-dimethylsilolane
CID 140812457
2,2,3-trimethyloxasilepane
CID 22966650

Frequently Asked Questions

What is the IUPAC name of 1,1,2-trimethylsilinane;hydrate?
The IUPAC name of 1,1,2-trimethylsilinane;hydrate (CID 174865246) is 1,1,2-trimethylsilinane;hydrate.
What is the SMILES notation for 1,1,2-trimethylsilinane;hydrate?
The canonical SMILES for 1,1,2-trimethylsilinane;hydrate is CC1CCCC[Si]1(C)C.O.
What is the InChIKey of 1,1,2-trimethylsilinane;hydrate?
The InChIKey is YSRHPGGVEDNXAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18Si.H2O/c1-8-6-4-5-7-9(8,2)3;/h8H,4-7H2,1-3H3;1H2.
What are the key properties of 1,1,2-trimethylsilinane;hydrate?
1,1,2-trimethylsilinane;hydrate has a molecular weight of 160.33 g/mol, XLogP of 2.44, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-trimethylsilinane;hydrate is sourced from PubChem (CID 174865246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).