2-[(4aS,5S,7R,8aR)-4a-methyl-7-prop-2-enyl-5,7,8,8a-tetrahydro-4H-pyrano[4,3-d][1,3]dioxin-5-yl]ethoxy-tert-butyl-diphenylsilane

C29H40O4Si — CID 102573401

IUPAC2-[(4aS,5S,7R,8aR)-4a-methyl-7-prop-2-enyl-5,7,8,8a-tetrahydro-4H-pyrano[4,3-d][1,3]dioxin-5-yl]ethoxy-tert-butyl-diphenylsilane
SMILESC=CC[C@@H]1C[C@H]2OCOC[C@@]2(C)[C@H](CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O1
InChIInChI=1S/C29H40O4Si/c1-6-13-23-20-27-29(5,21-30-22-31-27)26(33-23)18-19-32-34(28(2,3)4,24-14-9-7-10-15-24)25-16-11-8-12-17-25/h6-12,14-17,23,26-27H,1,13,18-22H2,2-5H3/t23-,26+,27-,29+/m1/s1
InChIKeyWDXINNLMYAQRGD-HCHRDEHUSA-N
MW480.72 g/mol
LogP5.07
Rot. Bonds8

About 2-[(4aS,5S,7R,8aR)-4a-methyl-7-prop-2-enyl-5,7,8,8a-tetrahydro-4H-pyrano[4,3-d][1,3]dioxin-5-yl]ethoxy-tert-butyl-diphenylsilane

2-[(4aS,5S,7R,8aR)-4a-methyl-7-prop-2-enyl-5,7,8,8a-tetrahydro-4H-pyrano[4,3-d][1,3]dioxin-5-yl]ethoxy-tert-butyl-diphenylsilane (PubChem CID 102573401) has the molecular formula C29H40O4Si and a molecular weight of 480.72 g/mol. Its IUPAC name is 2-[(4aS,5S,7R,8aR)-4a-methyl-7-prop-2-enyl-5,7,8,8a-tetrahydro-4H-pyrano[4,3-d][1,3]dioxin-5-yl]ethoxy-tert-butyl-diphenylsilane.

Molecular Properties

Compound Name2-[(4aS,5S,7R,8aR)-4a-methyl-7-prop-2-enyl-5,7,8,8a-tetrahydro-4H-pyrano[4,3-d][1,3]dioxin-5-yl]ethoxy-tert-butyl-diphenylsilane
PubChem CID102573401
Molecular FormulaC29H40O4Si
Molecular Weight480.72 g/mol
Exact Mass480.27
IUPAC Name2-[(4aS,5S,7R,8aR)-4a-methyl-7-prop-2-enyl-5,7,8,8a-tetrahydro-4H-pyrano[4,3-d][1,3]dioxin-5-yl]ethoxy-tert-butyl-diphenylsilane
SMILESC=CC[C@@H]1C[C@H]2OCOC[C@@]2(C)[C@H](CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O1
InChIInChI=1S/C29H40O4Si/c1-6-13-23-20-27-29(5,21-30-22-31-27)26(33-23)18-19-32-34(28(2,3)4,24-14-9-7-10-15-24)25-16-11-8-12-17-25/h6-12,14-17,23,26-27H,1,13,18-22H2,2-5H3/t23-,26+,27-,29+/m1/s1
InChIKeyWDXINNLMYAQRGD-HCHRDEHUSA-N
XLogP5.07
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 ≤ 55.07
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-[(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
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
tert-butyl-[[(2R,3R,4S,6R)-4-methoxy-3-(methoxymethoxy)-5,5-dimethyl-6-prop-2-enyloxan-2-yl]methoxy]-diphenylsilane
CID 11203055
3-[(2R,3S,6S,8S)-8-[(3S)-4-[tert-butyl(diphenyl)silyl]oxy-3-methylbutyl]-3-methyl-1,7-dioxaspiro[5.5]undecan-2-yl]propan-1-ol
CID 11555801
[(2R,4R,6R)-2-[2-[(1S,2S,8S,8aR)-8-[tert-butyl(dimethyl)silyl]oxy-2-methyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]ethyl]-6-methoxyoxan-4-yl]oxy-tert-butyl-diphenylsilane
CID 13818336
(2R,4S,6R,8R,9S)-2-[(E,5R)-6-[tert-butyl(diphenyl)silyl]oxy-3,5-dimethylhex-2-enyl]-8,9-dimethyl-1,7-dioxaspiro[5.5]undecan-4-ol
CID 13945645
[(2R)-2-[(4R,5S,6S)-6-[(2S)-but-3-en-2-yl]-2,2,5-trimethyl-1,3-dioxan-4-yl]propoxy]-tert-butyl-diphenylsilane
CID 14683914
[6-(6-Allyl-4-methoxymethoxy-tetrahydro-pyran-2-yl)-3-methoxy-5-methyl-1-propyl-hexyloxy]-tert-butyl-diphenyl-silane
CID 46844933
[(2S,3S,6S,8S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methyl-1,7-dioxaspiro[5.5]undecan-8-yl]methanol
CID 46928419
tert-butyl-[2-[(1R,3S,5S)-1-(2-methylprop-2-enyl)-2,9-dioxabicyclo[3.3.1]nonan-3-yl]ethoxy]-diphenylsilane
CID 101135541

Frequently Asked Questions

What is the IUPAC name of 2-[(4aS,5S,7R,8aR)-4a-methyl-7-prop-2-enyl-5,7,8,8a-tetrahydro-4H-pyrano[4,3-d][1,3]dioxin-5-yl]ethoxy-tert-butyl-diphenylsilane?
The IUPAC name of 2-[(4aS,5S,7R,8aR)-4a-methyl-7-prop-2-enyl-5,7,8,8a-tetrahydro-4H-pyrano[4,3-d][1,3]dioxin-5-yl]ethoxy-tert-butyl-diphenylsilane (CID 102573401) is 2-[(4aS,5S,7R,8aR)-4a-methyl-7-prop-2-enyl-5,7,8,8a-tetrahydro-4H-pyrano[4,3-d][1,3]dioxin-5-yl]ethoxy-tert-butyl-diphenylsilane.
What is the SMILES notation for 2-[(4aS,5S,7R,8aR)-4a-methyl-7-prop-2-enyl-5,7,8,8a-tetrahydro-4H-pyrano[4,3-d][1,3]dioxin-5-yl]ethoxy-tert-butyl-diphenylsilane?
The canonical SMILES for 2-[(4aS,5S,7R,8aR)-4a-methyl-7-prop-2-enyl-5,7,8,8a-tetrahydro-4H-pyrano[4,3-d][1,3]dioxin-5-yl]ethoxy-tert-butyl-diphenylsilane is C=CC[C@@H]1C[C@H]2OCOC[C@@]2(C)[C@H](CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O1.
What is the InChIKey of 2-[(4aS,5S,7R,8aR)-4a-methyl-7-prop-2-enyl-5,7,8,8a-tetrahydro-4H-pyrano[4,3-d][1,3]dioxin-5-yl]ethoxy-tert-butyl-diphenylsilane?
The InChIKey is WDXINNLMYAQRGD-HCHRDEHUSA-N. The full InChI is InChI=1S/C29H40O4Si/c1-6-13-23-20-27-29(5,21-30-22-31-27)26(33-23)18-19-32-34(28(2,3)4,24-14-9-7-10-15-24)25-16-11-8-12-17-25/h6-12,14-17,23,26-27H,1,13,18-22H2,2-5H3/t23-,26+,27-,29+/m1/s1.
What are the key properties of 2-[(4aS,5S,7R,8aR)-4a-methyl-7-prop-2-enyl-5,7,8,8a-tetrahydro-4H-pyrano[4,3-d][1,3]dioxin-5-yl]ethoxy-tert-butyl-diphenylsilane?
2-[(4aS,5S,7R,8aR)-4a-methyl-7-prop-2-enyl-5,7,8,8a-tetrahydro-4H-pyrano[4,3-d][1,3]dioxin-5-yl]ethoxy-tert-butyl-diphenylsilane has a molecular weight of 480.72 g/mol, XLogP of 5.07, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4aS,5S,7R,8aR)-4a-methyl-7-prop-2-enyl-5,7,8,8a-tetrahydro-4H-pyrano[4,3-d][1,3]dioxin-5-yl]ethoxy-tert-butyl-diphenylsilane is sourced from PubChem (CID 102573401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).