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

C29H44O4Si — CID 101185878

IUPACtert-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
SMILESC=C1C[C@H]([C@@H]2OC3(CCCCC3)O[C@H]2c2ccccc2)O[C@H](/C=C/C)[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C29H44O4Si/c1-8-15-23-25(33-34(6,7)28(3,4)5)21(2)20-24(30-23)27-26(22-16-11-9-12-17-22)31-29(32-27)18-13-10-14-19-29/h8-9,11-12,15-17,23-27H,2,10,13-14,18-20H2,1,3-7H3/b15-8+/t23-,24-,25+,26+,27+/m1/s1
InChIKeyZOCSNXQARMOPEE-GTFCXVJCSA-N
MW484.75 g/mol
LogP7.48
Rot. Bonds5

About 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

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 (PubChem CID 101185878) has the molecular formula C29H44O4Si and a molecular weight of 484.75 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nametert-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
PubChem CID101185878
Molecular FormulaC29H44O4Si
Molecular Weight484.75 g/mol
Exact Mass484.30
IUPAC Nametert-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
SMILESC=C1C[C@H]([C@@H]2OC3(CCCCC3)O[C@H]2c2ccccc2)O[C@H](/C=C/C)[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C29H44O4Si/c1-8-15-23-25(33-34(6,7)28(3,4)5)21(2)20-24(30-23)27-26(22-16-11-9-12-17-22)31-29(32-27)18-13-10-14-19-29/h8-9,11-12,15-17,23-27H,2,10,13-14,18-20H2,1,3-7H3/b15-8+/t23-,24-,25+,26+,27+/m1/s1
InChIKeyZOCSNXQARMOPEE-GTFCXVJCSA-N
XLogP7.48
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.75
LogP ≤ 57.48
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

(2R,4aR,6S,7S,8R,8aR)-6-allyl-7,8-dimethoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
CID 15954357
(2R,4aR,6S,7S,8R,8aR)-7,8-dipentoxy-2,6-diphenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
CID 15954364
(2R,4aR,6S,7S,8R,8aR)-7,8-diisobutoxy-2,6-diphenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
CID 15954365
(2R,4aR,6S,7S,8R,8aR)-6-benzyl-7,8-dibutoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
CID 10049633
(2R,4aR,6S,7S,8R,8aR)-6-benzyl-2-phenyl-7,8-dipropoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
CID 11743217
(2S,3R,4S,5R,6R)-2-methoxy-6-(methoxymethyl)-3,4,5-tris(phenylmethoxy)oxane
CID 68654071
(2R,3R,4R)-3,4-Bis(benzyloxy)-2-((benzyloxy)methyl)-5-methoxytetrahydrofuran
CID 11015594
(2S,3S,6R,11R)-3,11-dimethyl-2-(phenylmethoxymethyl)-1,7-dioxaspiro[5.5]undecane
CID 10470317
(5S,7R,8R,9R,10R)-8,9-bis(phenylmethoxy)-7-(phenylmethoxymethyl)-1,6-dioxaspiro[4.5]decan-10-ol
CID 10601137
(5R,7R,8R,9R,10R)-8,9-bis(phenylmethoxy)-7-(phenylmethoxymethyl)-1,6-dioxaspiro[4.5]decan-10-ol
CID 10696418
(2S,3S,6R,11R)-3,11-dimethyl-2-(phenylmethoxymethoxymethyl)-1,7-dioxaspiro[5.5]undecane
CID 44303209
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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C=C1C[C@H]([C@@H]2OC3(CCCCC3)O[C@H]2c2ccccc2)O[C@H](/C=C/C)[C@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 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?
The InChIKey is ZOCSNXQARMOPEE-GTFCXVJCSA-N. The full InChI is InChI=1S/C29H44O4Si/c1-8-15-23-25(33-34(6,7)28(3,4)5)21(2)20-24(30-23)27-26(22-16-11-9-12-17-22)31-29(32-27)18-13-10-14-19-29/h8-9,11-12,15-17,23-27H,2,10,13-14,18-20H2,1,3-7H3/b15-8+/t23-,24-,25+,26+,27+/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 484.75 g/mol, XLogP of 7.48, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 101185878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).