tert-butyl-dimethyl-[[(1S,2S,5S)-5-propan-2-yl-2-bicyclo[3.1.0]hexanyl]methoxy]silane

C16H32OSi — CID 11065465

IUPACtert-butyl-dimethyl-[[(1S,2S,5S)-5-propan-2-yl-2-bicyclo[3.1.0]hexanyl]methoxy]silane
SMILESCC(C)[C@@]12CC[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H]1C2
InChIInChI=1S/C16H32OSi/c1-12(2)16-9-8-13(14(16)10-16)11-17-18(6,7)15(3,4)5/h12-14H,8-11H2,1-7H3/t13-,14+,16+/m1/s1
InChIKeyHYTASVUHWQHAOP-YCPHGPKFSA-N
MW268.52 g/mol
LogP5.08
Rot. Bonds4

About tert-butyl-dimethyl-[[(1S,2S,5S)-5-propan-2-yl-2-bicyclo[3.1.0]hexanyl]methoxy]silane

tert-butyl-dimethyl-[[(1S,2S,5S)-5-propan-2-yl-2-bicyclo[3.1.0]hexanyl]methoxy]silane (PubChem CID 11065465) has the molecular formula C16H32OSi and a molecular weight of 268.52 g/mol. Its IUPAC name is tert-butyl-dimethyl-[[(1S,2S,5S)-5-propan-2-yl-2-bicyclo[3.1.0]hexanyl]methoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[[(1S,2S,5S)-5-propan-2-yl-2-bicyclo[3.1.0]hexanyl]methoxy]silane
PubChem CID11065465
Molecular FormulaC16H32OSi
Molecular Weight268.52 g/mol
Exact Mass268.22
IUPAC Nametert-butyl-dimethyl-[[(1S,2S,5S)-5-propan-2-yl-2-bicyclo[3.1.0]hexanyl]methoxy]silane
SMILESCC(C)[C@@]12CC[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H]1C2
InChIInChI=1S/C16H32OSi/c1-12(2)16-9-8-13(14(16)10-16)11-17-18(6,7)15(3,4)5/h12-14H,8-11H2,1-7H3/t13-,14+,16+/m1/s1
InChIKeyHYTASVUHWQHAOP-YCPHGPKFSA-N
XLogP5.08
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.52
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze tert-butyl-dimethyl-[[(1S,2S,5S)-5-propan-2-yl-2-bicyclo[3.1.0]hexanyl]methoxy]silane with MolForge

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Related Compounds

[(1R,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]methanol
CID 69296261
[(1R,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentyl]methanol
CID 67782499
(1S,4R,7R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-8,8-dimethylbicyclo[5.1.0]octan-3-ol
CID 10924524
(1R,4S,5R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexane
CID 11983968
1-[(1R,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentyl]ethanone
CID 10422566
2-methyl-4-(5-propan-2-yl-2-bicyclo[3.1.0]hexanyl)but-2-enal
CID 177163973
2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methylcyclopentan-1-ol
CID 75230273
cis-(3S,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dimethylcyclopentan-1-ol
CID 59483083
4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexan-1-amine
CID 170953372
tert-butyl-dimethyl-[[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl]methoxy]silane
CID 71272305
tert-butyl-dimethyl-[[(1R,2R)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl]methoxy]silane
CID 155858826
tert-butyl-(cyclohex-3-en-1-ylmethoxy)-dimethylsilane
CID 11229886

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[[(1S,2S,5S)-5-propan-2-yl-2-bicyclo[3.1.0]hexanyl]methoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[[(1S,2S,5S)-5-propan-2-yl-2-bicyclo[3.1.0]hexanyl]methoxy]silane (CID 11065465) is tert-butyl-dimethyl-[[(1S,2S,5S)-5-propan-2-yl-2-bicyclo[3.1.0]hexanyl]methoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[[(1S,2S,5S)-5-propan-2-yl-2-bicyclo[3.1.0]hexanyl]methoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[[(1S,2S,5S)-5-propan-2-yl-2-bicyclo[3.1.0]hexanyl]methoxy]silane is CC(C)[C@@]12CC[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H]1C2.
What is the InChIKey of tert-butyl-dimethyl-[[(1S,2S,5S)-5-propan-2-yl-2-bicyclo[3.1.0]hexanyl]methoxy]silane?
The InChIKey is HYTASVUHWQHAOP-YCPHGPKFSA-N. The full InChI is InChI=1S/C16H32OSi/c1-12(2)16-9-8-13(14(16)10-16)11-17-18(6,7)15(3,4)5/h12-14H,8-11H2,1-7H3/t13-,14+,16+/m1/s1.
What are the key properties of tert-butyl-dimethyl-[[(1S,2S,5S)-5-propan-2-yl-2-bicyclo[3.1.0]hexanyl]methoxy]silane?
tert-butyl-dimethyl-[[(1S,2S,5S)-5-propan-2-yl-2-bicyclo[3.1.0]hexanyl]methoxy]silane has a molecular weight of 268.52 g/mol, XLogP of 5.08, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[[(1S,2S,5S)-5-propan-2-yl-2-bicyclo[3.1.0]hexanyl]methoxy]silane is sourced from PubChem (CID 11065465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).