[(3aR,4Z,6R,6aR)-4-(1-fluoroethylidene)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-6-yl]methoxy-tert-butyl-dimethylsilane

C16H29FO4Si — CID 71614460

IUPAC[(3aR,4Z,6R,6aR)-4-(1-fluoroethylidene)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-6-yl]methoxy-tert-butyl-dimethylsilane
SMILESC/C(F)=C1/O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H]2OC(C)(C)O[C@@H]12
InChIInChI=1S/C16H29FO4Si/c1-10(17)12-14-13(20-16(5,6)21-14)11(19-12)9-18-22(7,8)15(2,3)4/h11,13-14H,9H2,1-8H3/b12-10-/t11-,13-,14+/m1/s1
InChIKeyLOXTUGOXMITCLM-ITJLTHJNSA-N
MW332.49 g/mol
LogP4.13
Rot. Bonds3

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

[(3aR,4Z,6R,6aR)-4-(1-fluoroethylidene)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-6-yl]methoxy-tert-butyl-dimethylsilane (PubChem CID 71614460) has the molecular formula C16H29FO4Si and a molecular weight of 332.49 g/mol. Its IUPAC name is [(3aR,4Z,6R,6aR)-4-(1-fluoroethylidene)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-6-yl]methoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(3aR,4Z,6R,6aR)-4-(1-fluoroethylidene)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-6-yl]methoxy-tert-butyl-dimethylsilane
PubChem CID71614460
Molecular FormulaC16H29FO4Si
Molecular Weight332.49 g/mol
Exact Mass332.18
IUPAC Name[(3aR,4Z,6R,6aR)-4-(1-fluoroethylidene)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-6-yl]methoxy-tert-butyl-dimethylsilane
SMILESC/C(F)=C1/O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H]2OC(C)(C)O[C@@H]12
InChIInChI=1S/C16H29FO4Si/c1-10(17)12-14-13(20-16(5,6)21-14)11(19-12)9-18-22(7,8)15(2,3)4/h11,13-14H,9H2,1-8H3/b12-10-/t11-,13-,14+/m1/s1
InChIKeyLOXTUGOXMITCLM-ITJLTHJNSA-N
XLogP4.13
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 54.13
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

[(3aR,4Z,6R,6aR)-4-(1-fluoro-2-morpholin-4-ylethylidene)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-6-yl]methoxy-tert-butyl-dimethylsilane
CID 71614648
tert-butyl-[[(6R)-2,2-dimethyl-4-methylidene-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-6-yl]methoxy]-dimethylsilane
CID 135045767
[(3aR,4S,6R,6aR)-4-fluoro-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy-tert-butyl-dimethylsilane
CID 23237913
(3aS,4R,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-ol
CID 71314364
[(2R,3S)-3-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]oxiran-2-yl]methanol
CID 10853033
1-[(4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanone
CID 11471775
2-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol
CID 138967635
(3aS,4S,6R,6aS)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-4-carbaldehyde
CID 134922821
(3aR,4R,7R,7aR)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-iodo-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-ol
CID 23659967
[(3aR,4S,6R,6aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-(2-amino-4,5-dichlorophenyl)methanone
CID 10906881
(3aS,4R,6S,7R,7aR)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,7-dihydroxy-2,2-dimethyl-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-6-sulfonic acid
CID 174457520
(S)-[(4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-phenylmethanol
CID 101493912

Frequently Asked Questions

What is the IUPAC name of [(3aR,4Z,6R,6aR)-4-(1-fluoroethylidene)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-6-yl]methoxy-tert-butyl-dimethylsilane?
The IUPAC name of [(3aR,4Z,6R,6aR)-4-(1-fluoroethylidene)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-6-yl]methoxy-tert-butyl-dimethylsilane (CID 71614460) is [(3aR,4Z,6R,6aR)-4-(1-fluoroethylidene)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-6-yl]methoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(3aR,4Z,6R,6aR)-4-(1-fluoroethylidene)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-6-yl]methoxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(3aR,4Z,6R,6aR)-4-(1-fluoroethylidene)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-6-yl]methoxy-tert-butyl-dimethylsilane is C/C(F)=C1/O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H]2OC(C)(C)O[C@@H]12.
What is the InChIKey of [(3aR,4Z,6R,6aR)-4-(1-fluoroethylidene)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-6-yl]methoxy-tert-butyl-dimethylsilane?
The InChIKey is LOXTUGOXMITCLM-ITJLTHJNSA-N. The full InChI is InChI=1S/C16H29FO4Si/c1-10(17)12-14-13(20-16(5,6)21-14)11(19-12)9-18-22(7,8)15(2,3)4/h11,13-14H,9H2,1-8H3/b12-10-/t11-,13-,14+/m1/s1.
What are the key properties of [(3aR,4Z,6R,6aR)-4-(1-fluoroethylidene)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-6-yl]methoxy-tert-butyl-dimethylsilane?
[(3aR,4Z,6R,6aR)-4-(1-fluoroethylidene)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-6-yl]methoxy-tert-butyl-dimethylsilane has a molecular weight of 332.49 g/mol, XLogP of 4.13, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aR,4Z,6R,6aR)-4-(1-fluoroethylidene)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-6-yl]methoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 71614460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).