[(3aS,4R,6R,6aR)-2,2-dimethyl-4-phenyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy-tert-butyl-diphenylsilane

C30H36O4Si — CID 14377456

IUPAC[(3aS,4R,6R,6aR)-2,2-dimethyl-4-phenyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy-tert-butyl-diphenylsilane
SMILESCC1(C)O[C@@H]2[C@H](O1)[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)O[C@@H]2c1ccccc1
InChIInChI=1S/C30H36O4Si/c1-29(2,3)35(23-17-11-7-12-18-23,24-19-13-8-14-20-24)31-21-25-27-28(34-30(4,5)33-27)26(32-25)22-15-9-6-10-16-22/h6-20,25-28H,21H2,1-5H3/t25-,26-,27-,28+/m1/s1
InChIKeyOWIFOEVRMDQTLV-HPQIJTKRSA-N
MW488.70 g/mol
LogP5.22
Rot. Bonds6

About [(3aS,4R,6R,6aR)-2,2-dimethyl-4-phenyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy-tert-butyl-diphenylsilane

[(3aS,4R,6R,6aR)-2,2-dimethyl-4-phenyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy-tert-butyl-diphenylsilane (PubChem CID 14377456) has the molecular formula C30H36O4Si and a molecular weight of 488.70 g/mol. Its IUPAC name is [(3aS,4R,6R,6aR)-2,2-dimethyl-4-phenyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy-tert-butyl-diphenylsilane.

Molecular Properties

Compound Name[(3aS,4R,6R,6aR)-2,2-dimethyl-4-phenyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy-tert-butyl-diphenylsilane
PubChem CID14377456
Molecular FormulaC30H36O4Si
Molecular Weight488.70 g/mol
Exact Mass488.24
IUPAC Name[(3aS,4R,6R,6aR)-2,2-dimethyl-4-phenyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy-tert-butyl-diphenylsilane
SMILESCC1(C)O[C@@H]2[C@H](O1)[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)O[C@@H]2c1ccccc1
InChIInChI=1S/C30H36O4Si/c1-29(2,3)35(23-17-11-7-12-18-23,24-19-13-8-14-20-24)31-21-25-27-28(34-30(4,5)33-27)26(32-25)22-15-9-6-10-16-22/h6-20,25-28H,21H2,1-5H3/t25-,26-,27-,28+/m1/s1
InChIKeyOWIFOEVRMDQTLV-HPQIJTKRSA-N
XLogP5.22
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.70
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 135062077
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CID 25085916
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CID 25085918
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CID 11387714
tert-butyl-dimethyl-[(2R,3S,6R)-4-methylidene-6-[(2S,3S)-3-phenyl-1,4-dioxaspiro[4.5]decan-2-yl]-2-[(E)-prop-1-enyl]oxan-3-yl]oxysilane
CID 101185878
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CID 10526729
(3aR,5R,6S,6aR)-2,2-dimethyl-6-prop-2-enoxy-5-(trityloxymethyl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
CID 10928829

Frequently Asked Questions

What is the IUPAC name of [(3aS,4R,6R,6aR)-2,2-dimethyl-4-phenyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy-tert-butyl-diphenylsilane?
The IUPAC name of [(3aS,4R,6R,6aR)-2,2-dimethyl-4-phenyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy-tert-butyl-diphenylsilane (CID 14377456) is [(3aS,4R,6R,6aR)-2,2-dimethyl-4-phenyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy-tert-butyl-diphenylsilane.
What is the SMILES notation for [(3aS,4R,6R,6aR)-2,2-dimethyl-4-phenyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy-tert-butyl-diphenylsilane?
The canonical SMILES for [(3aS,4R,6R,6aR)-2,2-dimethyl-4-phenyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy-tert-butyl-diphenylsilane is CC1(C)O[C@@H]2[C@H](O1)[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)O[C@@H]2c1ccccc1.
What is the InChIKey of [(3aS,4R,6R,6aR)-2,2-dimethyl-4-phenyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy-tert-butyl-diphenylsilane?
The InChIKey is OWIFOEVRMDQTLV-HPQIJTKRSA-N. The full InChI is InChI=1S/C30H36O4Si/c1-29(2,3)35(23-17-11-7-12-18-23,24-19-13-8-14-20-24)31-21-25-27-28(34-30(4,5)33-27)26(32-25)22-15-9-6-10-16-22/h6-20,25-28H,21H2,1-5H3/t25-,26-,27-,28+/m1/s1.
What are the key properties of [(3aS,4R,6R,6aR)-2,2-dimethyl-4-phenyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy-tert-butyl-diphenylsilane?
[(3aS,4R,6R,6aR)-2,2-dimethyl-4-phenyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy-tert-butyl-diphenylsilane has a molecular weight of 488.70 g/mol, XLogP of 5.22, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aS,4R,6R,6aR)-2,2-dimethyl-4-phenyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy-tert-butyl-diphenylsilane is sourced from PubChem (CID 14377456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).