[(3aR,5R,6S,6aR)-6-methoxy-2,2-dimethyl-5-prop-2-enyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-diphenylsilane

C28H38O5Si — CID 59483017

IUPAC[(3aR,5R,6S,6aR)-6-methoxy-2,2-dimethyl-5-prop-2-enyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-diphenylsilane
SMILESC=CC[C@]1(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O[C@@H]2OC(C)(C)O[C@@H]2[C@@H]1OC
InChIInChI=1S/C28H38O5Si/c1-8-19-28(24(29-7)23-25(33-28)32-27(5,6)31-23)20-30-34(26(2,3)4,21-15-11-9-12-16-21)22-17-13-10-14-18-22/h8-18,23-25H,1,19-20H2,2-7H3/t23-,24+,25+,28-/m1/s1
InChIKeyIRMFFZXFQSIBER-MEWSVHOLSA-N
MW482.69 g/mol
LogP4.40
Rot. Bonds8

About [(3aR,5R,6S,6aR)-6-methoxy-2,2-dimethyl-5-prop-2-enyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-diphenylsilane

[(3aR,5R,6S,6aR)-6-methoxy-2,2-dimethyl-5-prop-2-enyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-diphenylsilane (PubChem CID 59483017) has the molecular formula C28H38O5Si and a molecular weight of 482.69 g/mol. Its IUPAC name is [(3aR,5R,6S,6aR)-6-methoxy-2,2-dimethyl-5-prop-2-enyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-diphenylsilane.

Molecular Properties

Compound Name[(3aR,5R,6S,6aR)-6-methoxy-2,2-dimethyl-5-prop-2-enyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-diphenylsilane
PubChem CID59483017
Molecular FormulaC28H38O5Si
Molecular Weight482.69 g/mol
Exact Mass482.25
IUPAC Name[(3aR,5R,6S,6aR)-6-methoxy-2,2-dimethyl-5-prop-2-enyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-diphenylsilane
SMILESC=CC[C@]1(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O[C@@H]2OC(C)(C)O[C@@H]2[C@@H]1OC
InChIInChI=1S/C28H38O5Si/c1-8-19-28(24(29-7)23-25(33-28)32-27(5,6)31-23)20-30-34(26(2,3)4,21-15-11-9-12-16-21)22-17-13-10-14-18-22/h8-18,23-25H,1,19-20H2,2-7H3/t23-,24+,25+,28-/m1/s1
InChIKeyIRMFFZXFQSIBER-MEWSVHOLSA-N
XLogP4.40
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.69
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(3aR,5R,6S,6aR)-6-methoxy-2,2-dimethyl-5-prop-2-enyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-diphenylsilane?
The IUPAC name of [(3aR,5R,6S,6aR)-6-methoxy-2,2-dimethyl-5-prop-2-enyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-diphenylsilane (CID 59483017) is [(3aR,5R,6S,6aR)-6-methoxy-2,2-dimethyl-5-prop-2-enyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-diphenylsilane.
What is the SMILES notation for [(3aR,5R,6S,6aR)-6-methoxy-2,2-dimethyl-5-prop-2-enyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-diphenylsilane?
The canonical SMILES for [(3aR,5R,6S,6aR)-6-methoxy-2,2-dimethyl-5-prop-2-enyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-diphenylsilane is C=CC[C@]1(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O[C@@H]2OC(C)(C)O[C@@H]2[C@@H]1OC.
What is the InChIKey of [(3aR,5R,6S,6aR)-6-methoxy-2,2-dimethyl-5-prop-2-enyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-diphenylsilane?
The InChIKey is IRMFFZXFQSIBER-MEWSVHOLSA-N. The full InChI is InChI=1S/C28H38O5Si/c1-8-19-28(24(29-7)23-25(33-28)32-27(5,6)31-23)20-30-34(26(2,3)4,21-15-11-9-12-16-21)22-17-13-10-14-18-22/h8-18,23-25H,1,19-20H2,2-7H3/t23-,24+,25+,28-/m1/s1.
What are the key properties of [(3aR,5R,6S,6aR)-6-methoxy-2,2-dimethyl-5-prop-2-enyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-diphenylsilane?
[(3aR,5R,6S,6aR)-6-methoxy-2,2-dimethyl-5-prop-2-enyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-diphenylsilane has a molecular weight of 482.69 g/mol, XLogP of 4.40, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aR,5R,6S,6aR)-6-methoxy-2,2-dimethyl-5-prop-2-enyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-diphenylsilane is sourced from PubChem (CID 59483017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).