tert-butyl-[[3-cyclohexyl-1-(tributylstannylmethyl)aziridin-2-yl]methoxy]-diphenylsilane

C38H63NOSiSn — CID 85111638

IUPACtert-butyl-[[3-cyclohexyl-1-(tributylstannylmethyl)aziridin-2-yl]methoxy]-diphenylsilane
SMILESCCCC[Sn](CCCC)(CCCC)CN1C(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1C1CCCCC1
InChIInChI=1S/C26H36NOSi.3C4H9.Sn/c1-26(2,3)29(22-16-10-6-11-17-22,23-18-12-7-13-19-23)28-20-24-25(27(24)4)21-14-8-5-9-15-21;3*1-3-4-2;/h6-7,10-13,16-19,21,24-25H,4-5,8-9,14-15,20H2,1-3H3;3*1,3-4H2,2H3;
InChIKeyFPFGZRCIESKDCV-UHFFFAOYSA-N
MW696.73 g/mol
LogP9.58
Rot. Bonds17

About tert-butyl-[[3-cyclohexyl-1-(tributylstannylmethyl)aziridin-2-yl]methoxy]-diphenylsilane

tert-butyl-[[3-cyclohexyl-1-(tributylstannylmethyl)aziridin-2-yl]methoxy]-diphenylsilane (PubChem CID 85111638) has the molecular formula C38H63NOSiSn and a molecular weight of 696.73 g/mol. Its IUPAC name is tert-butyl-[[3-cyclohexyl-1-(tributylstannylmethyl)aziridin-2-yl]methoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[[3-cyclohexyl-1-(tributylstannylmethyl)aziridin-2-yl]methoxy]-diphenylsilane
PubChem CID85111638
Molecular FormulaC38H63NOSiSn
Molecular Weight696.73 g/mol
Exact Mass697.37
IUPAC Nametert-butyl-[[3-cyclohexyl-1-(tributylstannylmethyl)aziridin-2-yl]methoxy]-diphenylsilane
SMILESCCCC[Sn](CCCC)(CCCC)CN1C(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1C1CCCCC1
InChIInChI=1S/C26H36NOSi.3C4H9.Sn/c1-26(2,3)29(22-16-10-6-11-17-22,23-18-12-7-13-19-23)28-20-24-25(27(24)4)21-14-8-5-9-15-21;3*1-3-4-2;/h6-7,10-13,16-19,21,24-25H,4-5,8-9,14-15,20H2,1-3H3;3*1,3-4H2,2H3;
InChIKeyFPFGZRCIESKDCV-UHFFFAOYSA-N
XLogP9.58
TPSA12.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500696.73
LogP ≤ 59.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R,3R,4R,5S)-1-butyl-2-[[tert-butyl(diphenyl)silyl]oxymethyl]piperidine-3,4,5-triol
CID 22856139
tert-butyl-[[(2S)-oxolan-2-yl]methoxy]-diphenylsilane
CID 56616386
tert-butyl-[(4-octoxycyclohexyl)methoxy]-diphenylsilane
CID 163204350
(3R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-3-amine
CID 142544481
tert-butyl-[(4-cyclohexylidenecyclohexyl)methoxy]-diphenylsilane
CID 175936274
2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-one
CID 14862243
tert-butyl-[(2-methylcyclopentyl)methoxy]-diphenylsilane
CID 123161962
butyl (3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidine-1-carboxylate
CID 175819406
(3aS,7R,7aS)-2,2,5-tributyl-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4,6,7,7a-tetrahydro-3aH-[1,3,2]dioxastannolo[4,5-c]pyridin-7-ol
CID 173327189
(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-ol
CID 174251063
2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-ol
CID 74035630
(1S)-1-[(1R,3R,4aR,8aS)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isochromen-1-yl]ethane-1,2-diol
CID 122396895

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[3-cyclohexyl-1-(tributylstannylmethyl)aziridin-2-yl]methoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[[3-cyclohexyl-1-(tributylstannylmethyl)aziridin-2-yl]methoxy]-diphenylsilane (CID 85111638) is tert-butyl-[[3-cyclohexyl-1-(tributylstannylmethyl)aziridin-2-yl]methoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[[3-cyclohexyl-1-(tributylstannylmethyl)aziridin-2-yl]methoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[[3-cyclohexyl-1-(tributylstannylmethyl)aziridin-2-yl]methoxy]-diphenylsilane is CCCC[Sn](CCCC)(CCCC)CN1C(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1C1CCCCC1.
What is the InChIKey of tert-butyl-[[3-cyclohexyl-1-(tributylstannylmethyl)aziridin-2-yl]methoxy]-diphenylsilane?
The InChIKey is FPFGZRCIESKDCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36NOSi.3C4H9.Sn/c1-26(2,3)29(22-16-10-6-11-17-22,23-18-12-7-13-19-23)28-20-24-25(27(24)4)21-14-8-5-9-15-21;3*1-3-4-2;/h6-7,10-13,16-19,21,24-25H,4-5,8-9,14-15,20H2,1-3H3;3*1,3-4H2,2H3;.
What are the key properties of tert-butyl-[[3-cyclohexyl-1-(tributylstannylmethyl)aziridin-2-yl]methoxy]-diphenylsilane?
tert-butyl-[[3-cyclohexyl-1-(tributylstannylmethyl)aziridin-2-yl]methoxy]-diphenylsilane has a molecular weight of 696.73 g/mol, XLogP of 9.58, 17 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[3-cyclohexyl-1-(tributylstannylmethyl)aziridin-2-yl]methoxy]-diphenylsilane is sourced from PubChem (CID 85111638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).