tert-butyl-[(2R)-6-[(4S,5S)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-yl]-6-(methoxymethoxy)hex-4-yn-2-yl]oxy-dimethylsilane

C22H40O5Si — CID 25018438

IUPACtert-butyl-[(2R)-6-[(4S,5S)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-yl]-6-(methoxymethoxy)hex-4-yn-2-yl]oxy-dimethylsilane
SMILESC=CC[C@@H]1OC(C)(C)O[C@@H]1C(C#CC[C@@H](C)O[Si](C)(C)C(C)(C)C)OCOC
InChIInChI=1S/C22H40O5Si/c1-11-13-19-20(26-22(6,7)25-19)18(24-16-23-8)15-12-14-17(2)27-28(9,10)21(3,4)5/h11,17-20H,1,13-14,16H2,2-10H3/t17-,18?,19+,20-/m1/s1
InChIKeyRHWYXQJUDLSONH-ZZQCPNMFSA-N
MW412.64 g/mol
LogP4.88
Rot. Bonds9

About tert-butyl-[(2R)-6-[(4S,5S)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-yl]-6-(methoxymethoxy)hex-4-yn-2-yl]oxy-dimethylsilane

tert-butyl-[(2R)-6-[(4S,5S)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-yl]-6-(methoxymethoxy)hex-4-yn-2-yl]oxy-dimethylsilane (PubChem CID 25018438) has the molecular formula C22H40O5Si and a molecular weight of 412.64 g/mol. Its IUPAC name is tert-butyl-[(2R)-6-[(4S,5S)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-yl]-6-(methoxymethoxy)hex-4-yn-2-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2R)-6-[(4S,5S)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-yl]-6-(methoxymethoxy)hex-4-yn-2-yl]oxy-dimethylsilane
PubChem CID25018438
Molecular FormulaC22H40O5Si
Molecular Weight412.64 g/mol
Exact Mass412.26
IUPAC Nametert-butyl-[(2R)-6-[(4S,5S)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-yl]-6-(methoxymethoxy)hex-4-yn-2-yl]oxy-dimethylsilane
SMILESC=CC[C@@H]1OC(C)(C)O[C@@H]1C(C#CC[C@@H](C)O[Si](C)(C)C(C)(C)C)OCOC
InChIInChI=1S/C22H40O5Si/c1-11-13-19-20(26-22(6,7)25-19)18(24-16-23-8)15-12-14-17(2)27-28(9,10)21(3,4)5/h11,17-20H,1,13-14,16H2,2-10H3/t17-,18?,19+,20-/m1/s1
InChIKeyRHWYXQJUDLSONH-ZZQCPNMFSA-N
XLogP4.88
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.64
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl-[(1S)-1-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-ynoxy]-dimethylsilane
CID 10990553
tert-butyl-[(1S)-1-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]but-2-ynoxy]-dimethylsilane
CID 14188258
tert-butyl-dimethyl-[(2S,3R)-3-methyl-1-(2-methyl-1,3-dioxolan-2-yl)pent-4-en-2-yl]oxysilane
CID 44220841
tert-butyl-[(2R)-2-[(4R,5R)-5-[(1S)-1-(methoxymethoxy)but-3-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-yn-2-yl]oxy-dimethylsilane
CID 134839745
triethyl-[(1R)-1-[(4R,5R)-5-ethynyl-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoxy]silane
CID 134862159
tert-butyl-dimethyl-[(2R)-4-(2-prop-2-enyl-1,3-dioxolan-2-yl)butan-2-yl]oxysilane
CID 135039837
[(3R,4R,5R)-3,5-bis(methoxymethoxy)oct-1-en-7-yn-4-yl]oxy-triethylsilane
CID 162517824
tert-butyl-[(2S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-4-en-2-yl]oxy-dimethylsilane
CID 10357472
5-(2-But-3-enyl-1,3-dioxolan-2-yl)pent-1-ynyl-tert-butyl-dimethylsilane
CID 10425413
2-[(4S,5S)-5-but-3-enyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethynyl-trimethylsilane
CID 10562800
tert-butyl-[(1R)-1-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-ynoxy]-dimethylsilane
CID 10892299
tert-butyl-[(1S)-1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]but-3-enoxy]-dimethylsilane
CID 11198185

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2R)-6-[(4S,5S)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-yl]-6-(methoxymethoxy)hex-4-yn-2-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(2R)-6-[(4S,5S)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-yl]-6-(methoxymethoxy)hex-4-yn-2-yl]oxy-dimethylsilane (CID 25018438) is tert-butyl-[(2R)-6-[(4S,5S)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-yl]-6-(methoxymethoxy)hex-4-yn-2-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2R)-6-[(4S,5S)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-yl]-6-(methoxymethoxy)hex-4-yn-2-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(2R)-6-[(4S,5S)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-yl]-6-(methoxymethoxy)hex-4-yn-2-yl]oxy-dimethylsilane is C=CC[C@@H]1OC(C)(C)O[C@@H]1C(C#CC[C@@H](C)O[Si](C)(C)C(C)(C)C)OCOC.
What is the InChIKey of tert-butyl-[(2R)-6-[(4S,5S)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-yl]-6-(methoxymethoxy)hex-4-yn-2-yl]oxy-dimethylsilane?
The InChIKey is RHWYXQJUDLSONH-ZZQCPNMFSA-N. The full InChI is InChI=1S/C22H40O5Si/c1-11-13-19-20(26-22(6,7)25-19)18(24-16-23-8)15-12-14-17(2)27-28(9,10)21(3,4)5/h11,17-20H,1,13-14,16H2,2-10H3/t17-,18?,19+,20-/m1/s1.
What are the key properties of tert-butyl-[(2R)-6-[(4S,5S)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-yl]-6-(methoxymethoxy)hex-4-yn-2-yl]oxy-dimethylsilane?
tert-butyl-[(2R)-6-[(4S,5S)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-yl]-6-(methoxymethoxy)hex-4-yn-2-yl]oxy-dimethylsilane has a molecular weight of 412.64 g/mol, XLogP of 4.88, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2R)-6-[(4S,5S)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-yl]-6-(methoxymethoxy)hex-4-yn-2-yl]oxy-dimethylsilane is sourced from PubChem (CID 25018438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).