tert-butyl-[[(6R)-4-(difluoromethylidene)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-6-yl]methoxy]-diphenylsilane

C25H30F2O4Si — CID 134841778

IUPACtert-butyl-[[(6R)-4-(difluoromethylidene)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-6-yl]methoxy]-diphenylsilane
SMILESCC1(C)OC2C(=C(F)F)O[C@H](CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)C2O1
InChIInChI=1S/C25H30F2O4Si/c1-24(2,3)32(17-12-8-6-9-13-17,18-14-10-7-11-15-18)28-16-19-20-21(22(29-19)23(26)27)31-25(4,5)30-20/h6-15,19-21H,16H2,1-5H3/t19-,20?,21?/m1/s1
InChIKeyWUCNUHNIARLRCP-QNGMFEMESA-N
MW460.59 g/mol
LogP4.59
Rot. Bonds5

About tert-butyl-[[(6R)-4-(difluoromethylidene)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-6-yl]methoxy]-diphenylsilane

tert-butyl-[[(6R)-4-(difluoromethylidene)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-6-yl]methoxy]-diphenylsilane (PubChem CID 134841778) has the molecular formula C25H30F2O4Si and a molecular weight of 460.59 g/mol. Its IUPAC name is tert-butyl-[[(6R)-4-(difluoromethylidene)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-6-yl]methoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[[(6R)-4-(difluoromethylidene)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-6-yl]methoxy]-diphenylsilane
PubChem CID134841778
Molecular FormulaC25H30F2O4Si
Molecular Weight460.59 g/mol
Exact Mass460.19
IUPAC Nametert-butyl-[[(6R)-4-(difluoromethylidene)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-6-yl]methoxy]-diphenylsilane
SMILESCC1(C)OC2C(=C(F)F)O[C@H](CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)C2O1
InChIInChI=1S/C25H30F2O4Si/c1-24(2,3)32(17-12-8-6-9-13-17,18-14-10-7-11-15-18)28-16-19-20-21(22(29-19)23(26)27)31-25(4,5)30-20/h6-15,19-21H,16H2,1-5H3/t19-,20?,21?/m1/s1
InChIKeyWUCNUHNIARLRCP-QNGMFEMESA-N
XLogP4.59
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.59
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(6R)-4-(difluoromethylidene)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-6-yl]methoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[[(6R)-4-(difluoromethylidene)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-6-yl]methoxy]-diphenylsilane (CID 134841778) is tert-butyl-[[(6R)-4-(difluoromethylidene)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-6-yl]methoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[[(6R)-4-(difluoromethylidene)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-6-yl]methoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[[(6R)-4-(difluoromethylidene)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-6-yl]methoxy]-diphenylsilane is CC1(C)OC2C(=C(F)F)O[C@H](CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)C2O1.
What is the InChIKey of tert-butyl-[[(6R)-4-(difluoromethylidene)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-6-yl]methoxy]-diphenylsilane?
The InChIKey is WUCNUHNIARLRCP-QNGMFEMESA-N. The full InChI is InChI=1S/C25H30F2O4Si/c1-24(2,3)32(17-12-8-6-9-13-17,18-14-10-7-11-15-18)28-16-19-20-21(22(29-19)23(26)27)31-25(4,5)30-20/h6-15,19-21H,16H2,1-5H3/t19-,20?,21?/m1/s1.
What are the key properties of tert-butyl-[[(6R)-4-(difluoromethylidene)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-6-yl]methoxy]-diphenylsilane?
tert-butyl-[[(6R)-4-(difluoromethylidene)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-6-yl]methoxy]-diphenylsilane has a molecular weight of 460.59 g/mol, XLogP of 4.59, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(6R)-4-(difluoromethylidene)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-6-yl]methoxy]-diphenylsilane is sourced from PubChem (CID 134841778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).