hexan-2-yl(dimethyl)silane;hydrate

C8H22OSi — CID 158312164

IUPAChexan-2-yl(dimethyl)silane;hydrate
SMILESCCCCC(C)[SiH](C)C.O
InChIInChI=1S/C8H20Si.H2O/c1-5-6-7-8(2)9(3)4;/h8-9H,5-7H2,1-4H3;1H2
InChIKeyPSTMPDADVHHOGN-UHFFFAOYSA-N
MW162.35 g/mol
LogP2.23
Rot. Bonds4

About hexan-2-yl(dimethyl)silane;hydrate

hexan-2-yl(dimethyl)silane;hydrate (PubChem CID 158312164) has the molecular formula C8H22OSi and a molecular weight of 162.35 g/mol. Its IUPAC name is hexan-2-yl(dimethyl)silane;hydrate.

Molecular Properties

Compound Namehexan-2-yl(dimethyl)silane;hydrate
PubChem CID158312164
Molecular FormulaC8H22OSi
Molecular Weight162.35 g/mol
Exact Mass162.14
IUPAC Namehexan-2-yl(dimethyl)silane;hydrate
SMILESCCCCC(C)[SiH](C)C.O
InChIInChI=1S/C8H20Si.H2O/c1-5-6-7-8(2)9(3)4;/h8-9H,5-7H2,1-4H3;1H2
InChIKeyPSTMPDADVHHOGN-UHFFFAOYSA-N
XLogP2.23
TPSA31.50 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.35
LogP ≤ 52.23
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

2-methylhexane;dihydrate
CID 155319003
tributyl(methyl)phosphanium
CID 2760115
CID 171562402
CID 171562402
lithium hexan-2-olate
CID 141423009
2-methylhexane;propane
CID 143695748
dibutyl-ethyl-methylphosphanium
CID 58444360
tributyl(methyl)phosphanium iodide
CID 2760114
2-methylhexane;hydrochloride
CID 172797630
tributyl(methyl)phosphanium iodate
CID 158924304
dimethoxy(tridecan-2-yl)silane
CID 174991319
tetrakis(nonan-5-olate);tin(4+)
CID 160574109
CID 91544051
CID 91544051

Frequently Asked Questions

What is the IUPAC name of hexan-2-yl(dimethyl)silane;hydrate?
The IUPAC name of hexan-2-yl(dimethyl)silane;hydrate (CID 158312164) is hexan-2-yl(dimethyl)silane;hydrate.
What is the SMILES notation for hexan-2-yl(dimethyl)silane;hydrate?
The canonical SMILES for hexan-2-yl(dimethyl)silane;hydrate is CCCCC(C)[SiH](C)C.O.
What is the InChIKey of hexan-2-yl(dimethyl)silane;hydrate?
The InChIKey is PSTMPDADVHHOGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20Si.H2O/c1-5-6-7-8(2)9(3)4;/h8-9H,5-7H2,1-4H3;1H2.
What are the key properties of hexan-2-yl(dimethyl)silane;hydrate?
hexan-2-yl(dimethyl)silane;hydrate has a molecular weight of 162.35 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hexan-2-yl(dimethyl)silane;hydrate is sourced from PubChem (CID 158312164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).