[(3aS,6S,7R,7aS)-2,2-dimethyl-6-phenylmethoxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]oxy-dimethyl-prop-2-enylsilane

C20H30O5Si — CID 10547694

IUPAC[(3aS,6S,7R,7aS)-2,2-dimethyl-6-phenylmethoxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]oxy-dimethyl-prop-2-enylsilane
SMILESC=CC[Si](C)(C)O[C@H]1[C@@H](OCc2ccccc2)OC[C@@H]2OC(C)(C)O[C@H]12
InChIInChI=1S/C20H30O5Si/c1-6-12-26(4,5)25-18-17-16(23-20(2,3)24-17)14-22-19(18)21-13-15-10-8-7-9-11-15/h6-11,16-19H,1,12-14H2,2-5H3/t16-,17-,18+,19-/m0/s1
InChIKeyYSFPTNBWCQWGBB-OKYOBFRVSA-N
MW378.54 g/mol
LogP3.86
Rot. Bonds7

About [(3aS,6S,7R,7aS)-2,2-dimethyl-6-phenylmethoxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]oxy-dimethyl-prop-2-enylsilane

[(3aS,6S,7R,7aS)-2,2-dimethyl-6-phenylmethoxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]oxy-dimethyl-prop-2-enylsilane (PubChem CID 10547694) has the molecular formula C20H30O5Si and a molecular weight of 378.54 g/mol. Its IUPAC name is [(3aS,6S,7R,7aS)-2,2-dimethyl-6-phenylmethoxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]oxy-dimethyl-prop-2-enylsilane.

Molecular Properties

Compound Name[(3aS,6S,7R,7aS)-2,2-dimethyl-6-phenylmethoxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]oxy-dimethyl-prop-2-enylsilane
PubChem CID10547694
Molecular FormulaC20H30O5Si
Molecular Weight378.54 g/mol
Exact Mass378.19
IUPAC Name[(3aS,6S,7R,7aS)-2,2-dimethyl-6-phenylmethoxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]oxy-dimethyl-prop-2-enylsilane
SMILESC=CC[Si](C)(C)O[C@H]1[C@@H](OCc2ccccc2)OC[C@@H]2OC(C)(C)O[C@H]12
InChIInChI=1S/C20H30O5Si/c1-6-12-26(4,5)25-18-17-16(23-20(2,3)24-17)14-22-19(18)21-13-15-10-8-7-9-11-15/h6-11,16-19H,1,12-14H2,2-5H3/t16-,17-,18+,19-/m0/s1
InChIKeyYSFPTNBWCQWGBB-OKYOBFRVSA-N
XLogP3.86
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.54
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

(3aS,6S,7S,7aS)-7-iodo-2,2-dimethyl-6-phenylmethoxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran
CID 101171900
1-[(3aS,7S,7aR)-2,2-dimethyl-4-phenylmethoxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]but-3-en-1-amine
CID 68637635
(4aR,7R,8S,8aR)-2,2-dimethyl-6,7,8-tris(phenylmethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
CID 166514231
(3aR,4S,7S,7aR)-2,2,4-trimethyl-7-phenylmethoxy-6-prop-2-enoxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran
CID 101091396
(3aR,5S,6S,6aR)-2,2-dimethyl-5-[(2R)-(313C)oxiran-2-yl]-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
CID 11220088
(3aS,7S,8R,8aR)-2,2-dimethyl-8-phenylmethoxy-4,5,6,7,8,8a-hexahydro-3aH-[1,3]dioxolo[4,5-c]azepin-7-amine
CID 135012433
(3aR,6aR)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
CID 45048567
(3aR,6S,6aR)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
CID 14163116
(3aR,4R,6S,7S,7aR)-2,2,6-trimethyl-4-prop-2-enoxy-7-[(3R,4S,5R)-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran
CID 101430561
4,12,12-trimethyl-7-phenylmethoxy-3,5,8,11,13-pentaoxatricyclo[7.4.0.02,6]tridecane
CID 123547448
(8S,8aR)-2,2-dimethyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-ol
CID 66677124
(1R,2S,4S,5R,8R)-10,10-dimethyl-5-phenylmethoxy-3,7,9,11-tetraoxatricyclo[6.3.0.02,4]undecane
CID 101127715

Frequently Asked Questions

What is the IUPAC name of [(3aS,6S,7R,7aS)-2,2-dimethyl-6-phenylmethoxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]oxy-dimethyl-prop-2-enylsilane?
The IUPAC name of [(3aS,6S,7R,7aS)-2,2-dimethyl-6-phenylmethoxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]oxy-dimethyl-prop-2-enylsilane (CID 10547694) is [(3aS,6S,7R,7aS)-2,2-dimethyl-6-phenylmethoxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]oxy-dimethyl-prop-2-enylsilane.
What is the SMILES notation for [(3aS,6S,7R,7aS)-2,2-dimethyl-6-phenylmethoxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]oxy-dimethyl-prop-2-enylsilane?
The canonical SMILES for [(3aS,6S,7R,7aS)-2,2-dimethyl-6-phenylmethoxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]oxy-dimethyl-prop-2-enylsilane is C=CC[Si](C)(C)O[C@H]1[C@@H](OCc2ccccc2)OC[C@@H]2OC(C)(C)O[C@H]12.
What is the InChIKey of [(3aS,6S,7R,7aS)-2,2-dimethyl-6-phenylmethoxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]oxy-dimethyl-prop-2-enylsilane?
The InChIKey is YSFPTNBWCQWGBB-OKYOBFRVSA-N. The full InChI is InChI=1S/C20H30O5Si/c1-6-12-26(4,5)25-18-17-16(23-20(2,3)24-17)14-22-19(18)21-13-15-10-8-7-9-11-15/h6-11,16-19H,1,12-14H2,2-5H3/t16-,17-,18+,19-/m0/s1.
What are the key properties of [(3aS,6S,7R,7aS)-2,2-dimethyl-6-phenylmethoxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]oxy-dimethyl-prop-2-enylsilane?
[(3aS,6S,7R,7aS)-2,2-dimethyl-6-phenylmethoxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]oxy-dimethyl-prop-2-enylsilane has a molecular weight of 378.54 g/mol, XLogP of 3.86, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aS,6S,7R,7aS)-2,2-dimethyl-6-phenylmethoxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]oxy-dimethyl-prop-2-enylsilane is sourced from PubChem (CID 10547694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).