tert-butyl-chloro-dimethylsilane;[1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]methanol;[1-(hydroxymethyl)cyclopropyl]methanol

C22H49ClO4Si2 — CID 158962820

IUPACtert-butyl-chloro-dimethylsilane;[1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]methanol;[1-(hydroxymethyl)cyclopropyl]methanol
SMILESCC(C)(C)[Si](C)(C)Cl.CC(C)(C)[Si](C)(C)OCC1(CO)CC1.OCC1(CO)CC1
InChIInChI=1S/C11H24O2Si.C6H15ClSi.C5H10O2/c1-10(2,3)14(4,5)13-9-11(8-12)6-7-11;1-6(2,3)8(4,5)7;6-3-5(4-7)1-2-5/h12H,6-9H2,1-5H3;1-5H3;6-7H,1-4H2
InChIKeyJMVIOPCIRCKEOD-UHFFFAOYSA-N
MW469.26 g/mol
LogP5.76
Rot. Bonds6

About tert-butyl-chloro-dimethylsilane;[1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]methanol;[1-(hydroxymethyl)cyclopropyl]methanol

tert-butyl-chloro-dimethylsilane;[1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]methanol;[1-(hydroxymethyl)cyclopropyl]methanol (PubChem CID 158962820) has the molecular formula C22H49ClO4Si2 and a molecular weight of 469.26 g/mol. Its IUPAC name is tert-butyl-chloro-dimethylsilane;[1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]methanol;[1-(hydroxymethyl)cyclopropyl]methanol.

Molecular Properties

Compound Nametert-butyl-chloro-dimethylsilane;[1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]methanol;[1-(hydroxymethyl)cyclopropyl]methanol
PubChem CID158962820
Molecular FormulaC22H49ClO4Si2
Molecular Weight469.26 g/mol
Exact Mass468.29
IUPAC Nametert-butyl-chloro-dimethylsilane;[1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]methanol;[1-(hydroxymethyl)cyclopropyl]methanol
SMILESCC(C)(C)[Si](C)(C)Cl.CC(C)(C)[Si](C)(C)OCC1(CO)CC1.OCC1(CO)CC1
InChIInChI=1S/C11H24O2Si.C6H15ClSi.C5H10O2/c1-10(2,3)14(4,5)13-9-11(8-12)6-7-11;1-6(2,3)8(4,5)7;6-3-5(4-7)1-2-5/h12H,6-9H2,1-5H3;1-5H3;6-7H,1-4H2
InChIKeyJMVIOPCIRCKEOD-UHFFFAOYSA-N
XLogP5.76
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.26
LogP ≤ 55.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-chloro-dimethylsilane;[1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]methanol;[1-(hydroxymethyl)cyclopropyl]methanol?
The IUPAC name of tert-butyl-chloro-dimethylsilane;[1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]methanol;[1-(hydroxymethyl)cyclopropyl]methanol (CID 158962820) is tert-butyl-chloro-dimethylsilane;[1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]methanol;[1-(hydroxymethyl)cyclopropyl]methanol.
What is the SMILES notation for tert-butyl-chloro-dimethylsilane;[1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]methanol;[1-(hydroxymethyl)cyclopropyl]methanol?
The canonical SMILES for tert-butyl-chloro-dimethylsilane;[1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]methanol;[1-(hydroxymethyl)cyclopropyl]methanol is CC(C)(C)[Si](C)(C)Cl.CC(C)(C)[Si](C)(C)OCC1(CO)CC1.OCC1(CO)CC1.
What is the InChIKey of tert-butyl-chloro-dimethylsilane;[1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]methanol;[1-(hydroxymethyl)cyclopropyl]methanol?
The InChIKey is JMVIOPCIRCKEOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O2Si.C6H15ClSi.C5H10O2/c1-10(2,3)14(4,5)13-9-11(8-12)6-7-11;1-6(2,3)8(4,5)7;6-3-5(4-7)1-2-5/h12H,6-9H2,1-5H3;1-5H3;6-7H,1-4H2.
What are the key properties of tert-butyl-chloro-dimethylsilane;[1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]methanol;[1-(hydroxymethyl)cyclopropyl]methanol?
tert-butyl-chloro-dimethylsilane;[1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]methanol;[1-(hydroxymethyl)cyclopropyl]methanol has a molecular weight of 469.26 g/mol, XLogP of 5.76, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-chloro-dimethylsilane;[1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]methanol;[1-(hydroxymethyl)cyclopropyl]methanol is sourced from PubChem (CID 158962820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).