[(2R,3aS,5R,6S,7aS)-5-methoxy-6-methyl-5-prop-2-enyl-2,3,3a,6,7,7a-hexahydrofuro[3,2-b]pyran-2-yl]methoxy-tert-butyl-diphenylsilane

C29H40O4Si — CID 11167551

IUPAC[(2R,3aS,5R,6S,7aS)-5-methoxy-6-methyl-5-prop-2-enyl-2,3,3a,6,7,7a-hexahydrofuro[3,2-b]pyran-2-yl]methoxy-tert-butyl-diphenylsilane
SMILESC=CC[C@@]1(OC)O[C@H]2C[C@H](CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)O[C@H]2C[C@@H]1C
InChIInChI=1S/C29H40O4Si/c1-7-18-29(30-6)22(2)19-26-27(33-29)20-23(32-26)21-31-34(28(3,4)5,24-14-10-8-11-15-24)25-16-12-9-13-17-25/h7-17,22-23,26-27H,1,18-21H2,2-6H3/t22-,23+,26-,27-,29+/m0/s1
InChIKeyOYQPCWFMYXIVOD-HKWSIXNMSA-N
MW480.72 g/mol
LogP5.06
Rot. Bonds8

About [(2R,3aS,5R,6S,7aS)-5-methoxy-6-methyl-5-prop-2-enyl-2,3,3a,6,7,7a-hexahydrofuro[3,2-b]pyran-2-yl]methoxy-tert-butyl-diphenylsilane

[(2R,3aS,5R,6S,7aS)-5-methoxy-6-methyl-5-prop-2-enyl-2,3,3a,6,7,7a-hexahydrofuro[3,2-b]pyran-2-yl]methoxy-tert-butyl-diphenylsilane (PubChem CID 11167551) has the molecular formula C29H40O4Si and a molecular weight of 480.72 g/mol. Its IUPAC name is [(2R,3aS,5R,6S,7aS)-5-methoxy-6-methyl-5-prop-2-enyl-2,3,3a,6,7,7a-hexahydrofuro[3,2-b]pyran-2-yl]methoxy-tert-butyl-diphenylsilane.

Molecular Properties

Compound Name[(2R,3aS,5R,6S,7aS)-5-methoxy-6-methyl-5-prop-2-enyl-2,3,3a,6,7,7a-hexahydrofuro[3,2-b]pyran-2-yl]methoxy-tert-butyl-diphenylsilane
PubChem CID11167551
Molecular FormulaC29H40O4Si
Molecular Weight480.72 g/mol
Exact Mass480.27
IUPAC Name[(2R,3aS,5R,6S,7aS)-5-methoxy-6-methyl-5-prop-2-enyl-2,3,3a,6,7,7a-hexahydrofuro[3,2-b]pyran-2-yl]methoxy-tert-butyl-diphenylsilane
SMILESC=CC[C@@]1(OC)O[C@H]2C[C@H](CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)O[C@H]2C[C@@H]1C
InChIInChI=1S/C29H40O4Si/c1-7-18-29(30-6)22(2)19-26-27(33-29)20-23(32-26)21-31-34(28(3,4)5,24-14-10-8-11-15-24)25-16-12-9-13-17-25/h7-17,22-23,26-27H,1,18-21H2,2-6H3/t22-,23+,26-,27-,29+/m0/s1
InChIKeyOYQPCWFMYXIVOD-HKWSIXNMSA-N
XLogP5.06
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.72
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-[[(2S,3S,6R,11R)-3,11-dimethyl-1,7-dioxaspiro[5.5]undecan-2-yl]methoxy]-diphenylsilane
CID 10321645
tert-butyl-[[(2S,5R,6S)-5-methoxy-1,7-dioxaspiro[5.5]undecan-2-yl]methoxy]-diphenylsilane
CID 11134205
tert-butyl-[2-[(2R,3R)-2-methyl-4,6,8-trioxadispiro[4.1.57.25]tetradec-11-en-3-yl]ethoxy]-diphenylsilane
CID 11179397
1-[Tert-butyl(diphenyl)silyl]oxy-5-(1,10-dioxaspiro[4.5]decan-2-yl)pentan-3-ol
CID 21583599
Tert-butyl-diphenyl-[2-(4,6,8-trioxadispiro[4.1.57.25]tetradecan-3-yl)ethoxy]silane
CID 101097657
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
(2R,4R)-5-[tert-butyl(diphenyl)silyl]oxy-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methylpentan-2-ol
CID 140702952
tert-butyl-[(4R)-4-[(2S,3S,6R,8S,9R)-3,9-dimethyl-8-[(3S)-3-methylpent-4-enyl]-1,7-dioxaspiro[5.5]undecan-2-yl]pentoxy]-diphenylsilane
CID 10054152
(2R,3S,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-methyloxan-3-ol
CID 10874560
tert-butyl-[(2S)-2-[(4R,5S,6R)-6-[(2R)-1-iodopropan-2-yl]-2,2,5-trimethyl-1,3-dioxan-4-yl]propoxy]-diphenylsilane
CID 10875681
(2S,4S)-6-[tert-butyl(diphenyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]hexane-2,4-diol
CID 11123563
tert-butyl-[[(2R,3R,4S,6R)-4-methoxy-3-(methoxymethoxy)-5,5-dimethyl-6-prop-2-enyloxan-2-yl]methoxy]-diphenylsilane
CID 11203055

Frequently Asked Questions

What is the IUPAC name of [(2R,3aS,5R,6S,7aS)-5-methoxy-6-methyl-5-prop-2-enyl-2,3,3a,6,7,7a-hexahydrofuro[3,2-b]pyran-2-yl]methoxy-tert-butyl-diphenylsilane?
The IUPAC name of [(2R,3aS,5R,6S,7aS)-5-methoxy-6-methyl-5-prop-2-enyl-2,3,3a,6,7,7a-hexahydrofuro[3,2-b]pyran-2-yl]methoxy-tert-butyl-diphenylsilane (CID 11167551) is [(2R,3aS,5R,6S,7aS)-5-methoxy-6-methyl-5-prop-2-enyl-2,3,3a,6,7,7a-hexahydrofuro[3,2-b]pyran-2-yl]methoxy-tert-butyl-diphenylsilane.
What is the SMILES notation for [(2R,3aS,5R,6S,7aS)-5-methoxy-6-methyl-5-prop-2-enyl-2,3,3a,6,7,7a-hexahydrofuro[3,2-b]pyran-2-yl]methoxy-tert-butyl-diphenylsilane?
The canonical SMILES for [(2R,3aS,5R,6S,7aS)-5-methoxy-6-methyl-5-prop-2-enyl-2,3,3a,6,7,7a-hexahydrofuro[3,2-b]pyran-2-yl]methoxy-tert-butyl-diphenylsilane is C=CC[C@@]1(OC)O[C@H]2C[C@H](CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)O[C@H]2C[C@@H]1C.
What is the InChIKey of [(2R,3aS,5R,6S,7aS)-5-methoxy-6-methyl-5-prop-2-enyl-2,3,3a,6,7,7a-hexahydrofuro[3,2-b]pyran-2-yl]methoxy-tert-butyl-diphenylsilane?
The InChIKey is OYQPCWFMYXIVOD-HKWSIXNMSA-N. The full InChI is InChI=1S/C29H40O4Si/c1-7-18-29(30-6)22(2)19-26-27(33-29)20-23(32-26)21-31-34(28(3,4)5,24-14-10-8-11-15-24)25-16-12-9-13-17-25/h7-17,22-23,26-27H,1,18-21H2,2-6H3/t22-,23+,26-,27-,29+/m0/s1.
What are the key properties of [(2R,3aS,5R,6S,7aS)-5-methoxy-6-methyl-5-prop-2-enyl-2,3,3a,6,7,7a-hexahydrofuro[3,2-b]pyran-2-yl]methoxy-tert-butyl-diphenylsilane?
[(2R,3aS,5R,6S,7aS)-5-methoxy-6-methyl-5-prop-2-enyl-2,3,3a,6,7,7a-hexahydrofuro[3,2-b]pyran-2-yl]methoxy-tert-butyl-diphenylsilane has a molecular weight of 480.72 g/mol, XLogP of 5.06, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3aS,5R,6S,7aS)-5-methoxy-6-methyl-5-prop-2-enyl-2,3,3a,6,7,7a-hexahydrofuro[3,2-b]pyran-2-yl]methoxy-tert-butyl-diphenylsilane is sourced from PubChem (CID 11167551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).