[(3aR,5R,6S,6aR)-5-(cyclopenta-1,3-dien-1-ylmethyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy-tert-butyl-dimethylsilane

C19H32O4Si — CID 101263693

IUPAC[(3aR,5R,6S,6aR)-5-(cyclopenta-1,3-dien-1-ylmethyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy-tert-butyl-dimethylsilane
SMILESCC1(C)O[C@H]2O[C@H](CC3=CC=CC3)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O1
InChIInChI=1S/C19H32O4Si/c1-18(2,3)24(6,7)23-15-14(12-13-10-8-9-11-13)20-17-16(15)21-19(4,5)22-17/h8-10,14-17H,11-12H2,1-7H3/t14-,15+,16-,17-/m1/s1
InChIKeyJFLQRSQKYKMDMF-YYIAUSFCSA-N
MW352.55 g/mol
LogP4.53
Rot. Bonds4

About [(3aR,5R,6S,6aR)-5-(cyclopenta-1,3-dien-1-ylmethyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy-tert-butyl-dimethylsilane

[(3aR,5R,6S,6aR)-5-(cyclopenta-1,3-dien-1-ylmethyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 101263693) has the molecular formula C19H32O4Si and a molecular weight of 352.55 g/mol. Its IUPAC name is [(3aR,5R,6S,6aR)-5-(cyclopenta-1,3-dien-1-ylmethyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(3aR,5R,6S,6aR)-5-(cyclopenta-1,3-dien-1-ylmethyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy-tert-butyl-dimethylsilane
PubChem CID101263693
Molecular FormulaC19H32O4Si
Molecular Weight352.55 g/mol
Exact Mass352.21
IUPAC Name[(3aR,5R,6S,6aR)-5-(cyclopenta-1,3-dien-1-ylmethyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy-tert-butyl-dimethylsilane
SMILESCC1(C)O[C@H]2O[C@H](CC3=CC=CC3)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O1
InChIInChI=1S/C19H32O4Si/c1-18(2,3)24(6,7)23-15-14(12-13-10-8-9-11-13)20-17-16(15)21-19(4,5)22-17/h8-10,14-17H,11-12H2,1-7H3/t14-,15+,16-,17-/m1/s1
InChIKeyJFLQRSQKYKMDMF-YYIAUSFCSA-N
XLogP4.53
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.55
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [(3aR,5R,6S,6aR)-5-(cyclopenta-1,3-dien-1-ylmethyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy-tert-butyl-dimethylsilane with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(3aR,5R,6S,6aR)-5-(cyclopenta-1,3-dien-1-ylmethyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(3aR,5R,6S,6aR)-5-(cyclopenta-1,3-dien-1-ylmethyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy-tert-butyl-dimethylsilane (CID 101263693) is [(3aR,5R,6S,6aR)-5-(cyclopenta-1,3-dien-1-ylmethyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(3aR,5R,6S,6aR)-5-(cyclopenta-1,3-dien-1-ylmethyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(3aR,5R,6S,6aR)-5-(cyclopenta-1,3-dien-1-ylmethyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy-tert-butyl-dimethylsilane is CC1(C)O[C@H]2O[C@H](CC3=CC=CC3)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O1.
What is the InChIKey of [(3aR,5R,6S,6aR)-5-(cyclopenta-1,3-dien-1-ylmethyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is JFLQRSQKYKMDMF-YYIAUSFCSA-N. The full InChI is InChI=1S/C19H32O4Si/c1-18(2,3)24(6,7)23-15-14(12-13-10-8-9-11-13)20-17-16(15)21-19(4,5)22-17/h8-10,14-17H,11-12H2,1-7H3/t14-,15+,16-,17-/m1/s1.
What are the key properties of [(3aR,5R,6S,6aR)-5-(cyclopenta-1,3-dien-1-ylmethyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy-tert-butyl-dimethylsilane?
[(3aR,5R,6S,6aR)-5-(cyclopenta-1,3-dien-1-ylmethyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 352.55 g/mol, XLogP of 4.53, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aR,5R,6S,6aR)-5-(cyclopenta-1,3-dien-1-ylmethyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 101263693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).