[(3aR,5S,6aR)-2,2-dimethyl-6-methylidene-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-dimethylsilane

C15H28O4Si — CID 10335002

IUPAC[(3aR,5S,6aR)-2,2-dimethyl-6-methylidene-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-dimethylsilane
SMILESC=C1[C@H]2OC(C)(C)O[C@H]2O[C@@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H28O4Si/c1-10-11(9-16-20(7,8)14(2,3)4)17-13-12(10)18-15(5,6)19-13/h11-13H,1,9H2,2-8H3/t11-,12-,13-/m1/s1
InChIKeyNXJNKUCIYQUVNB-JHJVBQTASA-N
MW300.47 g/mol
LogP3.44
Rot. Bonds3

About [(3aR,5S,6aR)-2,2-dimethyl-6-methylidene-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-dimethylsilane

[(3aR,5S,6aR)-2,2-dimethyl-6-methylidene-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-dimethylsilane (PubChem CID 10335002) has the molecular formula C15H28O4Si and a molecular weight of 300.47 g/mol. Its IUPAC name is [(3aR,5S,6aR)-2,2-dimethyl-6-methylidene-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(3aR,5S,6aR)-2,2-dimethyl-6-methylidene-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-dimethylsilane
PubChem CID10335002
Molecular FormulaC15H28O4Si
Molecular Weight300.47 g/mol
Exact Mass300.18
IUPAC Name[(3aR,5S,6aR)-2,2-dimethyl-6-methylidene-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-dimethylsilane
SMILESC=C1[C@H]2OC(C)(C)O[C@H]2O[C@@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H28O4Si/c1-10-11(9-16-20(7,8)14(2,3)4)17-13-12(10)18-15(5,6)19-13/h11-13H,1,9H2,2-8H3/t11-,12-,13-/m1/s1
InChIKeyNXJNKUCIYQUVNB-JHJVBQTASA-N
XLogP3.44
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.47
LogP ≤ 53.44
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 [(3aR,5S,6aR)-2,2-dimethyl-6-methylidene-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-dimethylsilane?
The IUPAC name of [(3aR,5S,6aR)-2,2-dimethyl-6-methylidene-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-dimethylsilane (CID 10335002) is [(3aR,5S,6aR)-2,2-dimethyl-6-methylidene-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(3aR,5S,6aR)-2,2-dimethyl-6-methylidene-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(3aR,5S,6aR)-2,2-dimethyl-6-methylidene-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-dimethylsilane is C=C1[C@H]2OC(C)(C)O[C@H]2O[C@@H]1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(3aR,5S,6aR)-2,2-dimethyl-6-methylidene-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-dimethylsilane?
The InChIKey is NXJNKUCIYQUVNB-JHJVBQTASA-N. The full InChI is InChI=1S/C15H28O4Si/c1-10-11(9-16-20(7,8)14(2,3)4)17-13-12(10)18-15(5,6)19-13/h11-13H,1,9H2,2-8H3/t11-,12-,13-/m1/s1.
What are the key properties of [(3aR,5S,6aR)-2,2-dimethyl-6-methylidene-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-dimethylsilane?
[(3aR,5S,6aR)-2,2-dimethyl-6-methylidene-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-dimethylsilane has a molecular weight of 300.47 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aR,5S,6aR)-2,2-dimethyl-6-methylidene-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 10335002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).