[(3aS,4R,5S,6aS)-4-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-5-yl]methanol

C15H30O4Si — CID 101072259

IUPAC[(3aS,4R,5S,6aS)-4-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-5-yl]methanol
SMILESCC1(C)O[C@@H]2[C@H](O[Si](C)(C)C(C)(C)C)[C@H](CO)C[C@@H]2O1
InChIInChI=1S/C15H30O4Si/c1-14(2,3)20(6,7)19-12-10(9-16)8-11-13(12)18-15(4,5)17-11/h10-13,16H,8-9H2,1-7H3/t10-,11-,12+,13-/m0/s1
InChIKeyMPIFZOOSENPWGJ-RVMXOQNASA-N
MW302.49 g/mol
LogP2.91
Rot. Bonds3

About [(3aS,4R,5S,6aS)-4-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-5-yl]methanol

[(3aS,4R,5S,6aS)-4-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-5-yl]methanol (PubChem CID 101072259) has the molecular formula C15H30O4Si and a molecular weight of 302.49 g/mol. Its IUPAC name is [(3aS,4R,5S,6aS)-4-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-5-yl]methanol.

Molecular Properties

Compound Name[(3aS,4R,5S,6aS)-4-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-5-yl]methanol
PubChem CID101072259
Molecular FormulaC15H30O4Si
Molecular Weight302.49 g/mol
Exact Mass302.19
IUPAC Name[(3aS,4R,5S,6aS)-4-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-5-yl]methanol
SMILESCC1(C)O[C@@H]2[C@H](O[Si](C)(C)C(C)(C)C)[C@H](CO)C[C@@H]2O1
InChIInChI=1S/C15H30O4Si/c1-14(2,3)20(6,7)19-12-10(9-16)8-11-13(12)18-15(4,5)17-11/h10-13,16H,8-9H2,1-7H3/t10-,11-,12+,13-/m0/s1
InChIKeyMPIFZOOSENPWGJ-RVMXOQNASA-N
XLogP2.91
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.49
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [(3aS,4R,5S,6aS)-4-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-5-yl]methanol with MolForge

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Related Compounds

[(3aR,4S,5S,7R,7aR)-7-(bromomethyl)-4-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-5-yl]oxy-tert-butyl-dimethylsilane
CID 169294465
[(1S,2R,3R,4S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-4-sulfanylcyclopentyl]methanol
CID 10938043
[(3aS,6S,7R,7aS)-6-methoxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]oxy-tert-butyl-dimethylsilane
CID 10519626
[(3aR,4R,5S,6R,9aR)-5-[tert-butyl(dimethyl)silyl]oxy-4-[(4-methoxyphenyl)methoxy]-2,2-dimethyl-3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,3]dioxol-6-yl]methanol
CID 11598179
(3aR,4R,5S,6S,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-4-iodo-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-5-ol
CID 10787913
methyl (3aR,4R,6S,7S,7aR)-6,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,2-dimethyl-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole-4-carboxylate
CID 46188176
(1R)-1-[(3aR,5R,6S,6aR)-6-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethane-1,2-diol
CID 11782604
(1S,2R,3R,7R,8S,9R)-2,8-bis[[tert-butyl(dimethyl)silyl]oxy]-5,5-dimethyl-4,6,10-trioxatricyclo[7.2.1.03,7]dodecan-11-one
CID 11091946
tert-butyl-[[(1R,2R,3S,7R,9R)-7-(2-methoxypropan-2-yl)-5,5,11,11-tetramethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecan-2-yl]oxy]-dimethylsilane
CID 10502775
[(1R,2R,4R,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-8,8-dimethyl-3,7,9-trioxatricyclo[4.3.0.02,4]nonan-2-yl] acetate
CID 177473413
[3-[tert-butyl(dimethyl)silyl]oxycyclobutyl]methanol
CID 66698189
[(4R)-4-[tert-butyl(dimethyl)silyl]oxy-8,8-dimethyl-6-bicyclo[3.2.1]octanyl]methanol
CID 101226525

Frequently Asked Questions

What is the IUPAC name of [(3aS,4R,5S,6aS)-4-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-5-yl]methanol?
The IUPAC name of [(3aS,4R,5S,6aS)-4-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-5-yl]methanol (CID 101072259) is [(3aS,4R,5S,6aS)-4-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-5-yl]methanol.
What is the SMILES notation for [(3aS,4R,5S,6aS)-4-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-5-yl]methanol?
The canonical SMILES for [(3aS,4R,5S,6aS)-4-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-5-yl]methanol is CC1(C)O[C@@H]2[C@H](O[Si](C)(C)C(C)(C)C)[C@H](CO)C[C@@H]2O1.
What is the InChIKey of [(3aS,4R,5S,6aS)-4-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-5-yl]methanol?
The InChIKey is MPIFZOOSENPWGJ-RVMXOQNASA-N. The full InChI is InChI=1S/C15H30O4Si/c1-14(2,3)20(6,7)19-12-10(9-16)8-11-13(12)18-15(4,5)17-11/h10-13,16H,8-9H2,1-7H3/t10-,11-,12+,13-/m0/s1.
What are the key properties of [(3aS,4R,5S,6aS)-4-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-5-yl]methanol?
[(3aS,4R,5S,6aS)-4-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-5-yl]methanol has a molecular weight of 302.49 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aS,4R,5S,6aS)-4-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-5-yl]methanol is sourced from PubChem (CID 101072259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).