[(4S,6S)-6-[(2R)-but-3-en-2-yl]-2,2-dimethyl-1,3-dioxan-4-yl]methoxy-tert-butyl-diphenylsilane

C27H38O3Si — CID 23635572

IUPAC[(4S,6S)-6-[(2R)-but-3-en-2-yl]-2,2-dimethyl-1,3-dioxan-4-yl]methoxy-tert-butyl-diphenylsilane
SMILESC=C[C@@H](C)[C@@H]1C[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)OC(C)(C)O1
InChIInChI=1S/C27H38O3Si/c1-8-21(2)25-19-22(29-27(6,7)30-25)20-28-31(26(3,4)5,23-15-11-9-12-16-23)24-17-13-10-14-18-24/h8-18,21-22,25H,1,19-20H2,2-7H3/t21-,22+,25+/m1/s1
InChIKeyBATGOFTXKVYBAV-SLSDLSHTSA-N
MW438.68 g/mol
LogP5.30
Rot. Bonds7

About [(4S,6S)-6-[(2R)-but-3-en-2-yl]-2,2-dimethyl-1,3-dioxan-4-yl]methoxy-tert-butyl-diphenylsilane

[(4S,6S)-6-[(2R)-but-3-en-2-yl]-2,2-dimethyl-1,3-dioxan-4-yl]methoxy-tert-butyl-diphenylsilane (PubChem CID 23635572) has the molecular formula C27H38O3Si and a molecular weight of 438.68 g/mol. Its IUPAC name is [(4S,6S)-6-[(2R)-but-3-en-2-yl]-2,2-dimethyl-1,3-dioxan-4-yl]methoxy-tert-butyl-diphenylsilane.

Molecular Properties

Compound Name[(4S,6S)-6-[(2R)-but-3-en-2-yl]-2,2-dimethyl-1,3-dioxan-4-yl]methoxy-tert-butyl-diphenylsilane
PubChem CID23635572
Molecular FormulaC27H38O3Si
Molecular Weight438.68 g/mol
Exact Mass438.26
IUPAC Name[(4S,6S)-6-[(2R)-but-3-en-2-yl]-2,2-dimethyl-1,3-dioxan-4-yl]methoxy-tert-butyl-diphenylsilane
SMILESC=C[C@@H](C)[C@@H]1C[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)OC(C)(C)O1
InChIInChI=1S/C27H38O3Si/c1-8-21(2)25-19-22(29-27(6,7)30-25)20-28-31(26(3,4)5,23-15-11-9-12-16-23)24-17-13-10-14-18-24/h8-18,21-22,25H,1,19-20H2,2-7H3/t21-,22+,25+/m1/s1
InChIKeyBATGOFTXKVYBAV-SLSDLSHTSA-N
XLogP5.30
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.68
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [(4S,6S)-6-[(2R)-but-3-en-2-yl]-2,2-dimethyl-1,3-dioxan-4-yl]methoxy-tert-butyl-diphenylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl-[[(2S,3S,6R,11R)-3,11-dimethyl-1,7-dioxaspiro[5.5]undecan-2-yl]methoxy]-diphenylsilane
CID 10321645
(2S,4S,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methoxy-3,3-dimethyloxan-4-ol
CID 11974074
(2S,4R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methoxy-3,3-dimethyloxan-4-ol
CID 11974075
[(3S)-3-[tert-butyl(diphenyl)silyl]oxy-4-(2-methoxyethoxymethoxy)-4-methylpentyl] acetate
CID 357861
tert-butyl-diphenyl-[[(2R,3S)-3-[(Z)-3-tributylstannylprop-1-enoxy]oxan-2-yl]methoxy]silane
CID 10055503
tert-butyl-[(2S,6S)-2,6-dimethyloxan-4-yl]oxy-diphenylsilane
CID 10384425
tert-butyl-diphenyl-[(E)-5-[(4R,5S)-2,2,5-trimethyl-1,3-dioxan-4-yl]pent-2-enoxy]silane
CID 10623532
tert-butyl-[(2R,3E,5E)-8-(2-methoxypropan-2-yloxy)-2,6-dimethylocta-3,5-dienoxy]-diphenylsilane
CID 10972873
tert-butyl-[[(2R,3R,4S,6R)-4-methoxy-3-(methoxymethoxy)-5,5-dimethyl-6-prop-2-enyloxan-2-yl]methoxy]-diphenylsilane
CID 11203055
(2R,3S,4S)-1-[tert-butyl(diphenyl)silyl]oxy-4-methoxy-3-(methoxymethoxy)-5,5-dimethylhept-6-en-2-ol
CID 11386213
(2R,3R)-1-[tert-butyl(diphenyl)silyl]oxy-3-(oxan-2-yloxymethyl)hexan-2-ol
CID 11583642
(2S)-1-(tert-Butyl-diphenyl-silanyloxy)-hex-5-en-2-ol
CID 11668436

Frequently Asked Questions

What is the IUPAC name of [(4S,6S)-6-[(2R)-but-3-en-2-yl]-2,2-dimethyl-1,3-dioxan-4-yl]methoxy-tert-butyl-diphenylsilane?
The IUPAC name of [(4S,6S)-6-[(2R)-but-3-en-2-yl]-2,2-dimethyl-1,3-dioxan-4-yl]methoxy-tert-butyl-diphenylsilane (CID 23635572) is [(4S,6S)-6-[(2R)-but-3-en-2-yl]-2,2-dimethyl-1,3-dioxan-4-yl]methoxy-tert-butyl-diphenylsilane.
What is the SMILES notation for [(4S,6S)-6-[(2R)-but-3-en-2-yl]-2,2-dimethyl-1,3-dioxan-4-yl]methoxy-tert-butyl-diphenylsilane?
The canonical SMILES for [(4S,6S)-6-[(2R)-but-3-en-2-yl]-2,2-dimethyl-1,3-dioxan-4-yl]methoxy-tert-butyl-diphenylsilane is C=C[C@@H](C)[C@@H]1C[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)OC(C)(C)O1.
What is the InChIKey of [(4S,6S)-6-[(2R)-but-3-en-2-yl]-2,2-dimethyl-1,3-dioxan-4-yl]methoxy-tert-butyl-diphenylsilane?
The InChIKey is BATGOFTXKVYBAV-SLSDLSHTSA-N. The full InChI is InChI=1S/C27H38O3Si/c1-8-21(2)25-19-22(29-27(6,7)30-25)20-28-31(26(3,4)5,23-15-11-9-12-16-23)24-17-13-10-14-18-24/h8-18,21-22,25H,1,19-20H2,2-7H3/t21-,22+,25+/m1/s1.
What are the key properties of [(4S,6S)-6-[(2R)-but-3-en-2-yl]-2,2-dimethyl-1,3-dioxan-4-yl]methoxy-tert-butyl-diphenylsilane?
[(4S,6S)-6-[(2R)-but-3-en-2-yl]-2,2-dimethyl-1,3-dioxan-4-yl]methoxy-tert-butyl-diphenylsilane has a molecular weight of 438.68 g/mol, XLogP of 5.30, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S,6S)-6-[(2R)-but-3-en-2-yl]-2,2-dimethyl-1,3-dioxan-4-yl]methoxy-tert-butyl-diphenylsilane is sourced from PubChem (CID 23635572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).