[(3aR,5S,7S,7aS)-7-(methoxymethoxy)-2,2-dimethyl-4-methylidene-5,6,7,7a-tetrahydro-3aH-1,3-benzodioxol-5-yl]oxy-tert-butyl-dimethylsilane

C18H34O5Si — CID 11810483

IUPAC[(3aR,5S,7S,7aS)-7-(methoxymethoxy)-2,2-dimethyl-4-methylidene-5,6,7,7a-tetrahydro-3aH-1,3-benzodioxol-5-yl]oxy-tert-butyl-dimethylsilane
SMILESC=C1[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H](OCOC)[C@@H]2OC(C)(C)O[C@H]12
InChIInChI=1S/C18H34O5Si/c1-12-13(23-24(8,9)17(2,3)4)10-14(20-11-19-7)16-15(12)21-18(5,6)22-16/h13-16H,1,10-11H2,2-9H3/t13-,14-,15+,16-/m0/s1
InChIKeyMHDKZNOLESPHJE-JONQDZQNSA-N
MW358.55 g/mol
LogP3.85
Rot. Bonds5

About [(3aR,5S,7S,7aS)-7-(methoxymethoxy)-2,2-dimethyl-4-methylidene-5,6,7,7a-tetrahydro-3aH-1,3-benzodioxol-5-yl]oxy-tert-butyl-dimethylsilane

[(3aR,5S,7S,7aS)-7-(methoxymethoxy)-2,2-dimethyl-4-methylidene-5,6,7,7a-tetrahydro-3aH-1,3-benzodioxol-5-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 11810483) has the molecular formula C18H34O5Si and a molecular weight of 358.55 g/mol. Its IUPAC name is [(3aR,5S,7S,7aS)-7-(methoxymethoxy)-2,2-dimethyl-4-methylidene-5,6,7,7a-tetrahydro-3aH-1,3-benzodioxol-5-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(3aR,5S,7S,7aS)-7-(methoxymethoxy)-2,2-dimethyl-4-methylidene-5,6,7,7a-tetrahydro-3aH-1,3-benzodioxol-5-yl]oxy-tert-butyl-dimethylsilane
PubChem CID11810483
Molecular FormulaC18H34O5Si
Molecular Weight358.55 g/mol
Exact Mass358.22
IUPAC Name[(3aR,5S,7S,7aS)-7-(methoxymethoxy)-2,2-dimethyl-4-methylidene-5,6,7,7a-tetrahydro-3aH-1,3-benzodioxol-5-yl]oxy-tert-butyl-dimethylsilane
SMILESC=C1[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H](OCOC)[C@@H]2OC(C)(C)O[C@H]12
InChIInChI=1S/C18H34O5Si/c1-12-13(23-24(8,9)17(2,3)4)10-14(20-11-19-7)16-15(12)21-18(5,6)22-16/h13-16H,1,10-11H2,2-9H3/t13-,14-,15+,16-/m0/s1
InChIKeyMHDKZNOLESPHJE-JONQDZQNSA-N
XLogP3.85
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.55
LogP ≤ 53.85
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'}

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Related Compounds

tert-butyl-dimethyl-[[(2S,4S,5R,6S)-4,5,6-trimethoxy-3-methylideneoxan-2-yl]methoxy]silane
CID 69944761
[(3aR,5S,7R,7aS)-5-ethoxy-3-methylidene-4,5,7,7a-tetrahydro-3aH-furo[2,3-c]pyran-7-yl]methoxy-tert-butyl-dimethylsilane
CID 10520351
[(3Z,3aR,5S,7R,7aS)-5-ethoxy-3-(tributylstannylmethylidene)-4,5,7,7a-tetrahydro-3aH-furo[2,3-c]pyran-7-yl]methoxy-tert-butyl-dimethylsilane
CID 10746394
[(3aR,5S,7R,7aS)-3-methylidene-5-(2-methylprop-2-enoxy)-4,5,7,7a-tetrahydro-3aH-furo[2,3-c]pyran-7-yl]methoxy-tert-butyl-dimethylsilane
CID 10784349
(3aR,5S,7S,7aR)-7-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-4-methylidene-5,6,7,7a-tetrahydro-3aH-1,3-benzodioxol-5-ol
CID 10903137
(3aR,4Z,5S,7S,7aR)-7-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-4-(tributylstannylmethylidene)-5,6,7,7a-tetrahydro-3aH-1,3-benzodioxol-5-ol
CID 11061061
(3aR,4E,5S,7S,7aR)-7-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-4-(tributylstannylmethylidene)-5,6,7,7a-tetrahydro-3aH-1,3-benzodioxol-5-ol
CID 11135785
[(2R,3R,4aR,7S,8R,8aS)-2,3-dimethoxy-7-(methoxymethoxy)-2,3-dimethyl-6-methylidene-5,7,8,8a-tetrahydro-4aH-benzo[b][1,4]dioxin-8-yl]oxy-tert-butyl-dimethylsilane
CID 11339470
[(3'aR,4S,4'S,6'R,7'aS)-6'-(methoxymethoxy)-2,2,2',2'-tetramethyl-5'-methylidenespiro[1,3-dioxolane-4,7'-3a,4,6,7a-tetrahydro-1,3-benzodioxole]-4'-yl]oxy-tert-butyl-dimethylsilane
CID 11503194
tert-butyl-[[(4S,5S)-5-[(4R)-2,2-dimethyl-5-methylidene-1,3-dioxan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane
CID 56930364
tert-butyl-[[(5R,7S)-2,2-dimethyl-8-methylidene-1,3,10-trioxaspiro[4.5]decan-7-yl]oxy]-dimethylsilane
CID 101133966
[(3aR,5S,7R)-5-ethoxy-3-methylidene-4,5,7,7a-tetrahydro-3aH-furo[2,3-c]pyran-7-yl]methoxy-tert-butyl-dimethylsilane
CID 101699556

Frequently Asked Questions

What is the IUPAC name of [(3aR,5S,7S,7aS)-7-(methoxymethoxy)-2,2-dimethyl-4-methylidene-5,6,7,7a-tetrahydro-3aH-1,3-benzodioxol-5-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(3aR,5S,7S,7aS)-7-(methoxymethoxy)-2,2-dimethyl-4-methylidene-5,6,7,7a-tetrahydro-3aH-1,3-benzodioxol-5-yl]oxy-tert-butyl-dimethylsilane (CID 11810483) is [(3aR,5S,7S,7aS)-7-(methoxymethoxy)-2,2-dimethyl-4-methylidene-5,6,7,7a-tetrahydro-3aH-1,3-benzodioxol-5-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(3aR,5S,7S,7aS)-7-(methoxymethoxy)-2,2-dimethyl-4-methylidene-5,6,7,7a-tetrahydro-3aH-1,3-benzodioxol-5-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(3aR,5S,7S,7aS)-7-(methoxymethoxy)-2,2-dimethyl-4-methylidene-5,6,7,7a-tetrahydro-3aH-1,3-benzodioxol-5-yl]oxy-tert-butyl-dimethylsilane is C=C1[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H](OCOC)[C@@H]2OC(C)(C)O[C@H]12.
What is the InChIKey of [(3aR,5S,7S,7aS)-7-(methoxymethoxy)-2,2-dimethyl-4-methylidene-5,6,7,7a-tetrahydro-3aH-1,3-benzodioxol-5-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is MHDKZNOLESPHJE-JONQDZQNSA-N. The full InChI is InChI=1S/C18H34O5Si/c1-12-13(23-24(8,9)17(2,3)4)10-14(20-11-19-7)16-15(12)21-18(5,6)22-16/h13-16H,1,10-11H2,2-9H3/t13-,14-,15+,16-/m0/s1.
What are the key properties of [(3aR,5S,7S,7aS)-7-(methoxymethoxy)-2,2-dimethyl-4-methylidene-5,6,7,7a-tetrahydro-3aH-1,3-benzodioxol-5-yl]oxy-tert-butyl-dimethylsilane?
[(3aR,5S,7S,7aS)-7-(methoxymethoxy)-2,2-dimethyl-4-methylidene-5,6,7,7a-tetrahydro-3aH-1,3-benzodioxol-5-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 358.55 g/mol, XLogP of 3.85, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aR,5S,7S,7aS)-7-(methoxymethoxy)-2,2-dimethyl-4-methylidene-5,6,7,7a-tetrahydro-3aH-1,3-benzodioxol-5-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 11810483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).