[(3aS,4S,7S,7aS)-2,2-dimethyl-4-prop-2-enyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]oxy-tert-butyl-dimethylsilane

C17H32O4Si — CID 135000837

IUPAC[(3aS,4S,7S,7aS)-2,2-dimethyl-4-prop-2-enyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]oxy-tert-butyl-dimethylsilane
SMILESC=CC[C@@H]1OC[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2OC(C)(C)O[C@H]21
InChIInChI=1S/C17H32O4Si/c1-9-10-12-14-15(20-17(5,6)19-14)13(11-18-12)21-22(7,8)16(2,3)4/h9,12-15H,1,10-11H2,2-8H3/t12-,13-,14-,15+/m0/s1
InChIKeyUYBKIIBXOOBQCM-ZQDZILKHSA-N
MW328.53 g/mol
LogP3.87
Rot. Bonds4

About [(3aS,4S,7S,7aS)-2,2-dimethyl-4-prop-2-enyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]oxy-tert-butyl-dimethylsilane

[(3aS,4S,7S,7aS)-2,2-dimethyl-4-prop-2-enyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 135000837) has the molecular formula C17H32O4Si and a molecular weight of 328.53 g/mol. Its IUPAC name is [(3aS,4S,7S,7aS)-2,2-dimethyl-4-prop-2-enyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(3aS,4S,7S,7aS)-2,2-dimethyl-4-prop-2-enyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]oxy-tert-butyl-dimethylsilane
PubChem CID135000837
Molecular FormulaC17H32O4Si
Molecular Weight328.53 g/mol
Exact Mass328.21
IUPAC Name[(3aS,4S,7S,7aS)-2,2-dimethyl-4-prop-2-enyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]oxy-tert-butyl-dimethylsilane
SMILESC=CC[C@@H]1OC[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2OC(C)(C)O[C@H]21
InChIInChI=1S/C17H32O4Si/c1-9-10-12-14-15(20-17(5,6)19-14)13(11-18-12)21-22(7,8)16(2,3)4/h9,12-15H,1,10-11H2,2-8H3/t12-,13-,14-,15+/m0/s1
InChIKeyUYBKIIBXOOBQCM-ZQDZILKHSA-N
XLogP3.87
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.53
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 [(3aS,4S,7S,7aS)-2,2-dimethyl-4-prop-2-enyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(3aS,4S,7S,7aS)-2,2-dimethyl-4-prop-2-enyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]oxy-tert-butyl-dimethylsilane (CID 135000837) is [(3aS,4S,7S,7aS)-2,2-dimethyl-4-prop-2-enyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(3aS,4S,7S,7aS)-2,2-dimethyl-4-prop-2-enyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(3aS,4S,7S,7aS)-2,2-dimethyl-4-prop-2-enyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]oxy-tert-butyl-dimethylsilane is C=CC[C@@H]1OC[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2OC(C)(C)O[C@H]21.
What is the InChIKey of [(3aS,4S,7S,7aS)-2,2-dimethyl-4-prop-2-enyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is UYBKIIBXOOBQCM-ZQDZILKHSA-N. The full InChI is InChI=1S/C17H32O4Si/c1-9-10-12-14-15(20-17(5,6)19-14)13(11-18-12)21-22(7,8)16(2,3)4/h9,12-15H,1,10-11H2,2-8H3/t12-,13-,14-,15+/m0/s1.
What are the key properties of [(3aS,4S,7S,7aS)-2,2-dimethyl-4-prop-2-enyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]oxy-tert-butyl-dimethylsilane?
[(3aS,4S,7S,7aS)-2,2-dimethyl-4-prop-2-enyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 328.53 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aS,4S,7S,7aS)-2,2-dimethyl-4-prop-2-enyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 135000837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).