(4R,7R)-6-[[diethyl(phenyl)silyl]methyl]-4-methoxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-ol

C20H32O5Si — CID 164671256

IUPAC(4R,7R)-6-[[diethyl(phenyl)silyl]methyl]-4-methoxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-ol
SMILESCC[Si](CC)(CC1O[C@@H](OC)C2OC(C)(C)OC2[C@H]1O)c1ccccc1
InChIInChI=1S/C20H32O5Si/c1-6-26(7-2,14-11-9-8-10-12-14)13-15-16(21)17-18(19(22-5)23-15)25-20(3,4)24-17/h8-12,15-19,21H,6-7,13H2,1-5H3/t15?,16-,17?,18?,19+/m0/s1
InChIKeyYKCPEYDHBLRIKN-POEJNWFMSA-N
MW380.56 g/mol
LogP2.63
Rot. Bonds6

About (4R,7R)-6-[[diethyl(phenyl)silyl]methyl]-4-methoxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-ol

(4R,7R)-6-[[diethyl(phenyl)silyl]methyl]-4-methoxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-ol (PubChem CID 164671256) has the molecular formula C20H32O5Si and a molecular weight of 380.56 g/mol. Its IUPAC name is (4R,7R)-6-[[diethyl(phenyl)silyl]methyl]-4-methoxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-ol.

Molecular Properties

Compound Name(4R,7R)-6-[[diethyl(phenyl)silyl]methyl]-4-methoxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-ol
PubChem CID164671256
Molecular FormulaC20H32O5Si
Molecular Weight380.56 g/mol
Exact Mass380.20
IUPAC Name(4R,7R)-6-[[diethyl(phenyl)silyl]methyl]-4-methoxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-ol
SMILESCC[Si](CC)(CC1O[C@@H](OC)C2OC(C)(C)OC2[C@H]1O)c1ccccc1
InChIInChI=1S/C20H32O5Si/c1-6-26(7-2,14-11-9-8-10-12-14)13-15-16(21)17-18(19(22-5)23-15)25-20(3,4)24-17/h8-12,15-19,21H,6-7,13H2,1-5H3/t15?,16-,17?,18?,19+/m0/s1
InChIKeyYKCPEYDHBLRIKN-POEJNWFMSA-N
XLogP2.63
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.56
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4R,7R)-6-[[diethyl(phenyl)silyl]methyl]-4-methoxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-ol?
The IUPAC name of (4R,7R)-6-[[diethyl(phenyl)silyl]methyl]-4-methoxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-ol (CID 164671256) is (4R,7R)-6-[[diethyl(phenyl)silyl]methyl]-4-methoxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-ol.
What is the SMILES notation for (4R,7R)-6-[[diethyl(phenyl)silyl]methyl]-4-methoxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-ol?
The canonical SMILES for (4R,7R)-6-[[diethyl(phenyl)silyl]methyl]-4-methoxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-ol is CC[Si](CC)(CC1O[C@@H](OC)C2OC(C)(C)OC2[C@H]1O)c1ccccc1.
What is the InChIKey of (4R,7R)-6-[[diethyl(phenyl)silyl]methyl]-4-methoxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-ol?
The InChIKey is YKCPEYDHBLRIKN-POEJNWFMSA-N. The full InChI is InChI=1S/C20H32O5Si/c1-6-26(7-2,14-11-9-8-10-12-14)13-15-16(21)17-18(19(22-5)23-15)25-20(3,4)24-17/h8-12,15-19,21H,6-7,13H2,1-5H3/t15?,16-,17?,18?,19+/m0/s1.
What are the key properties of (4R,7R)-6-[[diethyl(phenyl)silyl]methyl]-4-methoxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-ol?
(4R,7R)-6-[[diethyl(phenyl)silyl]methyl]-4-methoxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-ol has a molecular weight of 380.56 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,7R)-6-[[diethyl(phenyl)silyl]methyl]-4-methoxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-ol is sourced from PubChem (CID 164671256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).