[(3aR,6aR)-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy-tri(propan-2-yl)silane

C17H32O3Si — CID 10245030

IUPAC[(3aR,6aR)-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy-tri(propan-2-yl)silane
SMILESCC(C)[Si](OC1=CC[C@H]2OC(C)(C)O[C@@H]12)(C(C)C)C(C)C
InChIInChI=1S/C17H32O3Si/c1-11(2)21(12(3)4,13(5)6)20-15-10-9-14-16(15)19-17(7,8)18-14/h10-14,16H,9H2,1-8H3/t14-,16-/m1/s1
InChIKeyVBKBTQRYPICDQO-GDBMZVCRSA-N
MW312.53 g/mol
LogP4.99
Rot. Bonds5

About [(3aR,6aR)-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy-tri(propan-2-yl)silane

[(3aR,6aR)-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy-tri(propan-2-yl)silane (PubChem CID 10245030) has the molecular formula C17H32O3Si and a molecular weight of 312.53 g/mol. Its IUPAC name is [(3aR,6aR)-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(3aR,6aR)-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy-tri(propan-2-yl)silane
PubChem CID10245030
Molecular FormulaC17H32O3Si
Molecular Weight312.53 g/mol
Exact Mass312.21
IUPAC Name[(3aR,6aR)-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy-tri(propan-2-yl)silane
SMILESCC(C)[Si](OC1=CC[C@H]2OC(C)(C)O[C@@H]12)(C(C)C)C(C)C
InChIInChI=1S/C17H32O3Si/c1-11(2)21(12(3)4,13(5)6)20-15-10-9-14-16(15)19-17(7,8)18-14/h10-14,16H,9H2,1-8H3/t14-,16-/m1/s1
InChIKeyVBKBTQRYPICDQO-GDBMZVCRSA-N
XLogP4.99
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.53
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(3aR,7aR)-2,2-dimethyl-3a,6,7,7a-tetrahydro-1,3-benzodioxol-4-yl]oxy-trimethylsilane
CID 46180361
2-[[(E)-3-[(3aS,4S,6aR)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]prop-2-enoxy]methoxy]ethyl-trimethylsilane
CID 134864608
[(E,4S)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-triethylsilyloxybut-2-enyl] methyl carbonate
CID 135014807
[(6R)-2,2-dimethyl-6-[(2-methylpropan-2-yl)oxymethyl]-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy-triethylsilane
CID 146169014
tert-butyl-[(Z)-4-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-enoxy]-dimethylsilane
CID 59806073
(+)-tert-butyl(((3aR,4R,6aS)-2,2-dimethyl-4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl)methoxy)dimethylsilane
CID 89762123
[(3aR,6S,6aR)-2,2,6-trimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy-triethylsilane
CID 155623340
[(3aR,6aR)-2,2,6-trimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy-triethylsilane
CID 155623402
[(3aR,6R,6aR)-2,2-dimethyl-6-[(2-methylpropan-2-yl)oxymethyl]-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy-triethylsilane
CID 164730672
[(3aR,6R,6aR)-4-ethyl-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]oxy-tert-butyl-dimethylsilane
CID 173739769
tert-butyl-[[(4R,5R)-2,2-dimethyl-5-[(E)-oct-1-enyl]-1,3-dioxolan-4-yl]methoxy]-dimethylsilane
CID 174054700
tert-butyl-[[(4S,5S)-2,2-dimethyl-5-[(E)-oct-1-enyl]-1,3-dioxolan-4-yl]methoxy]-dimethylsilane
CID 174054717

Frequently Asked Questions

What is the IUPAC name of [(3aR,6aR)-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy-tri(propan-2-yl)silane?
The IUPAC name of [(3aR,6aR)-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy-tri(propan-2-yl)silane (CID 10245030) is [(3aR,6aR)-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy-tri(propan-2-yl)silane.
What is the SMILES notation for [(3aR,6aR)-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy-tri(propan-2-yl)silane?
The canonical SMILES for [(3aR,6aR)-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy-tri(propan-2-yl)silane is CC(C)[Si](OC1=CC[C@H]2OC(C)(C)O[C@@H]12)(C(C)C)C(C)C.
What is the InChIKey of [(3aR,6aR)-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy-tri(propan-2-yl)silane?
The InChIKey is VBKBTQRYPICDQO-GDBMZVCRSA-N. The full InChI is InChI=1S/C17H32O3Si/c1-11(2)21(12(3)4,13(5)6)20-15-10-9-14-16(15)19-17(7,8)18-14/h10-14,16H,9H2,1-8H3/t14-,16-/m1/s1.
What are the key properties of [(3aR,6aR)-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy-tri(propan-2-yl)silane?
[(3aR,6aR)-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy-tri(propan-2-yl)silane has a molecular weight of 312.53 g/mol, XLogP of 4.99, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aR,6aR)-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy-tri(propan-2-yl)silane is sourced from PubChem (CID 10245030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).