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

C20H36O4Si — CID 134881286

IUPAC[(3aS,4S,7S,7aS)-4-prop-2-enylspiro[4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2,1'-cyclohexane]-7-yl]oxy-tert-butyl-dimethylsilane
SMILESC=CC[C@@H]1OC[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2OC3(CCCCC3)O[C@H]21
InChIInChI=1S/C20H36O4Si/c1-7-11-15-17-18(23-20(22-17)12-9-8-10-13-20)16(14-21-15)24-25(5,6)19(2,3)4/h7,15-18H,1,8-14H2,2-6H3/t15-,16-,17-,18+/m0/s1
InChIKeyIMQQQVYDDMFOCW-XLAORIBOSA-N
MW368.59 g/mol
LogP4.80
Rot. Bonds4

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

[(3aS,4S,7S,7aS)-4-prop-2-enylspiro[4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2,1'-cyclohexane]-7-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 134881286) has the molecular formula C20H36O4Si and a molecular weight of 368.59 g/mol. Its IUPAC name is [(3aS,4S,7S,7aS)-4-prop-2-enylspiro[4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2,1'-cyclohexane]-7-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(3aS,4S,7S,7aS)-4-prop-2-enylspiro[4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2,1'-cyclohexane]-7-yl]oxy-tert-butyl-dimethylsilane
PubChem CID134881286
Molecular FormulaC20H36O4Si
Molecular Weight368.59 g/mol
Exact Mass368.24
IUPAC Name[(3aS,4S,7S,7aS)-4-prop-2-enylspiro[4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2,1'-cyclohexane]-7-yl]oxy-tert-butyl-dimethylsilane
SMILESC=CC[C@@H]1OC[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2OC3(CCCCC3)O[C@H]21
InChIInChI=1S/C20H36O4Si/c1-7-11-15-17-18(23-20(22-17)12-9-8-10-13-20)16(14-21-15)24-25(5,6)19(2,3)4/h7,15-18H,1,8-14H2,2-6H3/t15-,16-,17-,18+/m0/s1
InChIKeyIMQQQVYDDMFOCW-XLAORIBOSA-N
XLogP4.80
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.59
LogP ≤ 54.80
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)-4-prop-2-enylspiro[4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2,1'-cyclohexane]-7-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(3aS,4S,7S,7aS)-4-prop-2-enylspiro[4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2,1'-cyclohexane]-7-yl]oxy-tert-butyl-dimethylsilane (CID 134881286) is [(3aS,4S,7S,7aS)-4-prop-2-enylspiro[4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2,1'-cyclohexane]-7-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(3aS,4S,7S,7aS)-4-prop-2-enylspiro[4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2,1'-cyclohexane]-7-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(3aS,4S,7S,7aS)-4-prop-2-enylspiro[4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2,1'-cyclohexane]-7-yl]oxy-tert-butyl-dimethylsilane is C=CC[C@@H]1OC[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2OC3(CCCCC3)O[C@H]21.
What is the InChIKey of [(3aS,4S,7S,7aS)-4-prop-2-enylspiro[4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2,1'-cyclohexane]-7-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is IMQQQVYDDMFOCW-XLAORIBOSA-N. The full InChI is InChI=1S/C20H36O4Si/c1-7-11-15-17-18(23-20(22-17)12-9-8-10-13-20)16(14-21-15)24-25(5,6)19(2,3)4/h7,15-18H,1,8-14H2,2-6H3/t15-,16-,17-,18+/m0/s1.
What are the key properties of [(3aS,4S,7S,7aS)-4-prop-2-enylspiro[4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2,1'-cyclohexane]-7-yl]oxy-tert-butyl-dimethylsilane?
[(3aS,4S,7S,7aS)-4-prop-2-enylspiro[4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2,1'-cyclohexane]-7-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 368.59 g/mol, XLogP of 4.80, 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)-4-prop-2-enylspiro[4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2,1'-cyclohexane]-7-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 134881286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).