[(2R,3aR,6aS)-6a-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,4,5,6-hexahydro-1H-pentalen-2-yl]methanol

C15H30O2Si — CID 10612133

IUPAC[(2R,3aR,6aS)-6a-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,4,5,6-hexahydro-1H-pentalen-2-yl]methanol
SMILESCC(C)(C)[Si](C)(C)O[C@]12CCC[C@@H]1C[C@@H](CO)C2
InChIInChI=1S/C15H30O2Si/c1-14(2,3)18(4,5)17-15-8-6-7-13(15)9-12(10-15)11-16/h12-13,16H,6-11H2,1-5H3/t12-,13-,15+/m1/s1
InChIKeyAWBNOTLMHYFZAR-NFAWXSAZSA-N
MW270.49 g/mol
LogP3.95
Rot. Bonds3

About [(2R,3aR,6aS)-6a-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,4,5,6-hexahydro-1H-pentalen-2-yl]methanol

[(2R,3aR,6aS)-6a-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,4,5,6-hexahydro-1H-pentalen-2-yl]methanol (PubChem CID 10612133) has the molecular formula C15H30O2Si and a molecular weight of 270.49 g/mol. Its IUPAC name is [(2R,3aR,6aS)-6a-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,4,5,6-hexahydro-1H-pentalen-2-yl]methanol.

Molecular Properties

Compound Name[(2R,3aR,6aS)-6a-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,4,5,6-hexahydro-1H-pentalen-2-yl]methanol
PubChem CID10612133
Molecular FormulaC15H30O2Si
Molecular Weight270.49 g/mol
Exact Mass270.20
IUPAC Name[(2R,3aR,6aS)-6a-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,4,5,6-hexahydro-1H-pentalen-2-yl]methanol
SMILESCC(C)(C)[Si](C)(C)O[C@]12CCC[C@@H]1C[C@@H](CO)C2
InChIInChI=1S/C15H30O2Si/c1-14(2,3)18(4,5)17-15-8-6-7-13(15)9-12(10-15)11-16/h12-13,16H,6-11H2,1-5H3/t12-,13-,15+/m1/s1
InChIKeyAWBNOTLMHYFZAR-NFAWXSAZSA-N
XLogP3.95
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.49
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2R,3aR,6aS)-6a-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,4,5,6-hexahydro-1H-pentalen-2-yl]methanol?
The IUPAC name of [(2R,3aR,6aS)-6a-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,4,5,6-hexahydro-1H-pentalen-2-yl]methanol (CID 10612133) is [(2R,3aR,6aS)-6a-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,4,5,6-hexahydro-1H-pentalen-2-yl]methanol.
What is the SMILES notation for [(2R,3aR,6aS)-6a-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,4,5,6-hexahydro-1H-pentalen-2-yl]methanol?
The canonical SMILES for [(2R,3aR,6aS)-6a-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,4,5,6-hexahydro-1H-pentalen-2-yl]methanol is CC(C)(C)[Si](C)(C)O[C@]12CCC[C@@H]1C[C@@H](CO)C2.
What is the InChIKey of [(2R,3aR,6aS)-6a-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,4,5,6-hexahydro-1H-pentalen-2-yl]methanol?
The InChIKey is AWBNOTLMHYFZAR-NFAWXSAZSA-N. The full InChI is InChI=1S/C15H30O2Si/c1-14(2,3)18(4,5)17-15-8-6-7-13(15)9-12(10-15)11-16/h12-13,16H,6-11H2,1-5H3/t12-,13-,15+/m1/s1.
What are the key properties of [(2R,3aR,6aS)-6a-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,4,5,6-hexahydro-1H-pentalen-2-yl]methanol?
[(2R,3aR,6aS)-6a-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,4,5,6-hexahydro-1H-pentalen-2-yl]methanol has a molecular weight of 270.49 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3aR,6aS)-6a-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,4,5,6-hexahydro-1H-pentalen-2-yl]methanol is sourced from PubChem (CID 10612133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).