7-[(Z)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-2-enyl]-4-methoxy-2,2-dimethyl-3a,4,6,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-7-ol

C22H42O6Si — CID 5373594

IUPAC7-[(Z)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-2-enyl]-4-methoxy-2,2-dimethyl-3a,4,6,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-7-ol
SMILESCOC1OCC(O)(C/C=C\C(C)C(C)O[Si](C)(C)C(C)(C)C)C2OC(C)(C)OC12
InChIInChI=1S/C22H42O6Si/c1-15(16(2)28-29(9,10)20(3,4)5)12-11-13-22(23)14-25-19(24-8)17-18(22)27-21(6,7)26-17/h11-12,15-19,23H,13-14H2,1-10H3/b12-11-
InChIKeyWKACJYZWRLHACK-QXMHVHEDSA-N
MW430.66 g/mol
LogP4.23
Rot. Bonds7

About 7-[(Z)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-2-enyl]-4-methoxy-2,2-dimethyl-3a,4,6,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-7-ol

7-[(Z)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-2-enyl]-4-methoxy-2,2-dimethyl-3a,4,6,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-7-ol (PubChem CID 5373594) has the molecular formula C22H42O6Si and a molecular weight of 430.66 g/mol. Its IUPAC name is 7-[(Z)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-2-enyl]-4-methoxy-2,2-dimethyl-3a,4,6,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-7-ol.

Molecular Properties

Compound Name7-[(Z)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-2-enyl]-4-methoxy-2,2-dimethyl-3a,4,6,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-7-ol
PubChem CID5373594
Molecular FormulaC22H42O6Si
Molecular Weight430.66 g/mol
Exact Mass430.28
IUPAC Name7-[(Z)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-2-enyl]-4-methoxy-2,2-dimethyl-3a,4,6,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-7-ol
SMILESCOC1OCC(O)(C/C=C\C(C)C(C)O[Si](C)(C)C(C)(C)C)C2OC(C)(C)OC12
InChIInChI=1S/C22H42O6Si/c1-15(16(2)28-29(9,10)20(3,4)5)12-11-13-22(23)14-25-19(24-8)17-18(22)27-21(6,7)26-17/h11-12,15-19,23H,13-14H2,1-10H3/b12-11-
InChIKeyWKACJYZWRLHACK-QXMHVHEDSA-N
XLogP4.23
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.66
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-[(Z)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-2-enyl]-4-methoxy-2,2-dimethyl-3a,4,6,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-7-ol?
The IUPAC name of 7-[(Z)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-2-enyl]-4-methoxy-2,2-dimethyl-3a,4,6,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-7-ol (CID 5373594) is 7-[(Z)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-2-enyl]-4-methoxy-2,2-dimethyl-3a,4,6,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-7-ol.
What is the SMILES notation for 7-[(Z)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-2-enyl]-4-methoxy-2,2-dimethyl-3a,4,6,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-7-ol?
The canonical SMILES for 7-[(Z)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-2-enyl]-4-methoxy-2,2-dimethyl-3a,4,6,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-7-ol is COC1OCC(O)(C/C=C\C(C)C(C)O[Si](C)(C)C(C)(C)C)C2OC(C)(C)OC12.
What is the InChIKey of 7-[(Z)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-2-enyl]-4-methoxy-2,2-dimethyl-3a,4,6,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-7-ol?
The InChIKey is WKACJYZWRLHACK-QXMHVHEDSA-N. The full InChI is InChI=1S/C22H42O6Si/c1-15(16(2)28-29(9,10)20(3,4)5)12-11-13-22(23)14-25-19(24-8)17-18(22)27-21(6,7)26-17/h11-12,15-19,23H,13-14H2,1-10H3/b12-11-.
What are the key properties of 7-[(Z)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-2-enyl]-4-methoxy-2,2-dimethyl-3a,4,6,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-7-ol?
7-[(Z)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-2-enyl]-4-methoxy-2,2-dimethyl-3a,4,6,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-7-ol has a molecular weight of 430.66 g/mol, XLogP of 4.23, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(Z)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-2-enyl]-4-methoxy-2,2-dimethyl-3a,4,6,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-7-ol is sourced from PubChem (CID 5373594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).