(4S,6R)-2,2-ditert-butyl-4-[(4S,6R)-2,2-ditert-butyl-6-(furan-2-yl)-1,3,2-dioxasilinan-4-yl]-6-(furan-2-yl)-1,3,2-dioxasilinane

C30H50O6Si2 — CID 12027174

IUPAC(4S,6R)-2,2-ditert-butyl-4-[(4S,6R)-2,2-ditert-butyl-6-(furan-2-yl)-1,3,2-dioxasilinan-4-yl]-6-(furan-2-yl)-1,3,2-dioxasilinane
SMILESCC(C)(C)[Si]1(C(C)(C)C)O[C@H]([C@@H]2C[C@H](c3ccco3)O[Si](C(C)(C)C)(C(C)(C)C)O2)C[C@H](c2ccco2)O1
InChIInChI=1S/C30H50O6Si2/c1-27(2,3)37(28(4,5)6)33-23(21-15-13-17-31-21)19-25(35-37)26-20-24(22-16-14-18-32-22)34-38(36-26,29(7,8)9)30(10,11)12/h13-18,23-26H,19-20H2,1-12H3/t23-,24-,25+,26+/m1/s1
InChIKeyDFACXQFFZGPLGN-XPGKHFPBSA-N
MW562.90 g/mol
LogP9.35
Rot. Bonds3

About (4S,6R)-2,2-ditert-butyl-4-[(4S,6R)-2,2-ditert-butyl-6-(furan-2-yl)-1,3,2-dioxasilinan-4-yl]-6-(furan-2-yl)-1,3,2-dioxasilinane

(4S,6R)-2,2-ditert-butyl-4-[(4S,6R)-2,2-ditert-butyl-6-(furan-2-yl)-1,3,2-dioxasilinan-4-yl]-6-(furan-2-yl)-1,3,2-dioxasilinane (PubChem CID 12027174) has the molecular formula C30H50O6Si2 and a molecular weight of 562.90 g/mol. Its IUPAC name is (4S,6R)-2,2-ditert-butyl-4-[(4S,6R)-2,2-ditert-butyl-6-(furan-2-yl)-1,3,2-dioxasilinan-4-yl]-6-(furan-2-yl)-1,3,2-dioxasilinane.

Molecular Properties

Compound Name(4S,6R)-2,2-ditert-butyl-4-[(4S,6R)-2,2-ditert-butyl-6-(furan-2-yl)-1,3,2-dioxasilinan-4-yl]-6-(furan-2-yl)-1,3,2-dioxasilinane
PubChem CID12027174
Molecular FormulaC30H50O6Si2
Molecular Weight562.90 g/mol
Exact Mass562.31
IUPAC Name(4S,6R)-2,2-ditert-butyl-4-[(4S,6R)-2,2-ditert-butyl-6-(furan-2-yl)-1,3,2-dioxasilinan-4-yl]-6-(furan-2-yl)-1,3,2-dioxasilinane
SMILESCC(C)(C)[Si]1(C(C)(C)C)O[C@H]([C@@H]2C[C@H](c3ccco3)O[Si](C(C)(C)C)(C(C)(C)C)O2)C[C@H](c2ccco2)O1
InChIInChI=1S/C30H50O6Si2/c1-27(2,3)37(28(4,5)6)33-23(21-15-13-17-31-21)19-25(35-37)26-20-24(22-16-14-18-32-22)34-38(36-26,29(7,8)9)30(10,11)12/h13-18,23-26H,19-20H2,1-12H3/t23-,24-,25+,26+/m1/s1
InChIKeyDFACXQFFZGPLGN-XPGKHFPBSA-N
XLogP9.35
TPSA63.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.90
LogP ≤ 59.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (4S,6R)-2,2-ditert-butyl-4-[(4S,6R)-2,2-ditert-butyl-6-(furan-2-yl)-1,3,2-dioxasilinan-4-yl]-6-(furan-2-yl)-1,3,2-dioxasilinane with MolForge

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Launch Full Analysis

Related Compounds

5-(furan-2-yl)-2-propan-2-ylideneoxolan-3-one
CID 23250320
2-(5,5-dimethyloxolan-2-yl)furan
CID 21036269
(2S,6S)-2-(furan-2-yl)-6-methyloxane
CID 25138454
[(4R,6S)-3-ethenylidene-2,2-diethyl-6-(furan-2-yl)oxasilinan-4-yl]oxy-trimethylsilane
CID 11515552
(2S,3R,4R,6S)-2-(furan-2-yl)-3,6-dimethyloxan-4-ol
CID 130831333
(2R,4S,6R)-2-(furan-2-yl)-6-phenyloxan-4-ol
CID 44519098
5-(furan-2-yl)-3-(oxomethylidene)oxolan-2-one
CID 86741509
4-ethyl-3-(furan-2-yl)-N-methylcyclohexan-1-amine
CID 165491970
tert-butyl (3S,5S)-3-benzyl-5-(furan-2-yl)-1,2-oxazolidine-2-carboxylate
CID 101387560
(2S)-2-(furan-2-yl)morpholine
CID 42182763
(1S)-1-[(1R,2S)-2-(furan-2-yl)cyclopropyl]ethanamine
CID 29079255
3-(furan-2-yl)-N,4,4-trimethylcyclohexan-1-amine
CID 165498088

Frequently Asked Questions

What is the IUPAC name of (4S,6R)-2,2-ditert-butyl-4-[(4S,6R)-2,2-ditert-butyl-6-(furan-2-yl)-1,3,2-dioxasilinan-4-yl]-6-(furan-2-yl)-1,3,2-dioxasilinane?
The IUPAC name of (4S,6R)-2,2-ditert-butyl-4-[(4S,6R)-2,2-ditert-butyl-6-(furan-2-yl)-1,3,2-dioxasilinan-4-yl]-6-(furan-2-yl)-1,3,2-dioxasilinane (CID 12027174) is (4S,6R)-2,2-ditert-butyl-4-[(4S,6R)-2,2-ditert-butyl-6-(furan-2-yl)-1,3,2-dioxasilinan-4-yl]-6-(furan-2-yl)-1,3,2-dioxasilinane.
What is the SMILES notation for (4S,6R)-2,2-ditert-butyl-4-[(4S,6R)-2,2-ditert-butyl-6-(furan-2-yl)-1,3,2-dioxasilinan-4-yl]-6-(furan-2-yl)-1,3,2-dioxasilinane?
The canonical SMILES for (4S,6R)-2,2-ditert-butyl-4-[(4S,6R)-2,2-ditert-butyl-6-(furan-2-yl)-1,3,2-dioxasilinan-4-yl]-6-(furan-2-yl)-1,3,2-dioxasilinane is CC(C)(C)[Si]1(C(C)(C)C)O[C@H]([C@@H]2C[C@H](c3ccco3)O[Si](C(C)(C)C)(C(C)(C)C)O2)C[C@H](c2ccco2)O1.
What is the InChIKey of (4S,6R)-2,2-ditert-butyl-4-[(4S,6R)-2,2-ditert-butyl-6-(furan-2-yl)-1,3,2-dioxasilinan-4-yl]-6-(furan-2-yl)-1,3,2-dioxasilinane?
The InChIKey is DFACXQFFZGPLGN-XPGKHFPBSA-N. The full InChI is InChI=1S/C30H50O6Si2/c1-27(2,3)37(28(4,5)6)33-23(21-15-13-17-31-21)19-25(35-37)26-20-24(22-16-14-18-32-22)34-38(36-26,29(7,8)9)30(10,11)12/h13-18,23-26H,19-20H2,1-12H3/t23-,24-,25+,26+/m1/s1.
What are the key properties of (4S,6R)-2,2-ditert-butyl-4-[(4S,6R)-2,2-ditert-butyl-6-(furan-2-yl)-1,3,2-dioxasilinan-4-yl]-6-(furan-2-yl)-1,3,2-dioxasilinane?
(4S,6R)-2,2-ditert-butyl-4-[(4S,6R)-2,2-ditert-butyl-6-(furan-2-yl)-1,3,2-dioxasilinan-4-yl]-6-(furan-2-yl)-1,3,2-dioxasilinane has a molecular weight of 562.90 g/mol, XLogP of 9.35, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,6R)-2,2-ditert-butyl-4-[(4S,6R)-2,2-ditert-butyl-6-(furan-2-yl)-1,3,2-dioxasilinan-4-yl]-6-(furan-2-yl)-1,3,2-dioxasilinane is sourced from PubChem (CID 12027174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).