lithium [(3aS,5S,7aS)-5-methyl-2,3,3a,5,7,7a-hexahydrofuro[3,2-b]pyran-7-id-2-yl]oxy-tri(propan-2-yl)silane

C17H31LiO3Si — CID 10471155

IUPAClithium [(3aS,5S,7aS)-5-methyl-2,3,3a,5,7,7a-hexahydrofuro[3,2-b]pyran-7-id-2-yl]oxy-tri(propan-2-yl)silane
SMILESCC(C)[Si](OC1C[C@@H]2O[C@@H](C)C=[C-][C@@H]2O1)(C(C)C)C(C)C.[Li+]
InChIInChI=1S/C17H31O3Si.Li/c1-11(2)21(12(3)4,13(5)6)20-17-10-16-15(19-17)9-8-14(7)18-16;/h8,11-17H,10H2,1-7H3;/q-1;+1/t14-,15-,16-,17?;/m0./s1
InChIKeyKESUPYFSVAGFMI-LQVSEQCOSA-N
MW318.46 g/mol
LogP1.44
Rot. Bonds5

About lithium [(3aS,5S,7aS)-5-methyl-2,3,3a,5,7,7a-hexahydrofuro[3,2-b]pyran-7-id-2-yl]oxy-tri(propan-2-yl)silane

lithium [(3aS,5S,7aS)-5-methyl-2,3,3a,5,7,7a-hexahydrofuro[3,2-b]pyran-7-id-2-yl]oxy-tri(propan-2-yl)silane (PubChem CID 10471155) has the molecular formula C17H31LiO3Si and a molecular weight of 318.46 g/mol. Its IUPAC name is lithium [(3aS,5S,7aS)-5-methyl-2,3,3a,5,7,7a-hexahydrofuro[3,2-b]pyran-7-id-2-yl]oxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Namelithium [(3aS,5S,7aS)-5-methyl-2,3,3a,5,7,7a-hexahydrofuro[3,2-b]pyran-7-id-2-yl]oxy-tri(propan-2-yl)silane
PubChem CID10471155
Molecular FormulaC17H31LiO3Si
Molecular Weight318.46 g/mol
Exact Mass318.22
IUPAC Namelithium [(3aS,5S,7aS)-5-methyl-2,3,3a,5,7,7a-hexahydrofuro[3,2-b]pyran-7-id-2-yl]oxy-tri(propan-2-yl)silane
SMILESCC(C)[Si](OC1C[C@@H]2O[C@@H](C)C=[C-][C@@H]2O1)(C(C)C)C(C)C.[Li+]
InChIInChI=1S/C17H31O3Si.Li/c1-11(2)21(12(3)4,13(5)6)20-17-10-16-15(19-17)9-8-14(7)18-16;/h8,11-17H,10H2,1-7H3;/q-1;+1/t14-,15-,16-,17?;/m0./s1
InChIKeyKESUPYFSVAGFMI-LQVSEQCOSA-N
XLogP1.44
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of lithium [(3aS,5S,7aS)-5-methyl-2,3,3a,5,7,7a-hexahydrofuro[3,2-b]pyran-7-id-2-yl]oxy-tri(propan-2-yl)silane?
The IUPAC name of lithium [(3aS,5S,7aS)-5-methyl-2,3,3a,5,7,7a-hexahydrofuro[3,2-b]pyran-7-id-2-yl]oxy-tri(propan-2-yl)silane (CID 10471155) is lithium [(3aS,5S,7aS)-5-methyl-2,3,3a,5,7,7a-hexahydrofuro[3,2-b]pyran-7-id-2-yl]oxy-tri(propan-2-yl)silane.
What is the SMILES notation for lithium [(3aS,5S,7aS)-5-methyl-2,3,3a,5,7,7a-hexahydrofuro[3,2-b]pyran-7-id-2-yl]oxy-tri(propan-2-yl)silane?
The canonical SMILES for lithium [(3aS,5S,7aS)-5-methyl-2,3,3a,5,7,7a-hexahydrofuro[3,2-b]pyran-7-id-2-yl]oxy-tri(propan-2-yl)silane is CC(C)[Si](OC1C[C@@H]2O[C@@H](C)C=[C-][C@@H]2O1)(C(C)C)C(C)C.[Li+].
What is the InChIKey of lithium [(3aS,5S,7aS)-5-methyl-2,3,3a,5,7,7a-hexahydrofuro[3,2-b]pyran-7-id-2-yl]oxy-tri(propan-2-yl)silane?
The InChIKey is KESUPYFSVAGFMI-LQVSEQCOSA-N. The full InChI is InChI=1S/C17H31O3Si.Li/c1-11(2)21(12(3)4,13(5)6)20-17-10-16-15(19-17)9-8-14(7)18-16;/h8,11-17H,10H2,1-7H3;/q-1;+1/t14-,15-,16-,17?;/m0./s1.
What are the key properties of lithium [(3aS,5S,7aS)-5-methyl-2,3,3a,5,7,7a-hexahydrofuro[3,2-b]pyran-7-id-2-yl]oxy-tri(propan-2-yl)silane?
lithium [(3aS,5S,7aS)-5-methyl-2,3,3a,5,7,7a-hexahydrofuro[3,2-b]pyran-7-id-2-yl]oxy-tri(propan-2-yl)silane has a molecular weight of 318.46 g/mol, XLogP of 1.44, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium [(3aS,5S,7aS)-5-methyl-2,3,3a,5,7,7a-hexahydrofuro[3,2-b]pyran-7-id-2-yl]oxy-tri(propan-2-yl)silane is sourced from PubChem (CID 10471155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).