[(1S,7S,8R)-3,3,5,5-tetra(propan-2-yl)-2,4,6-trioxa-3,5-disilabicyclo[5.2.1]decan-8-yl]methanol

C18H38O4Si2 — CID 25090375

IUPAC[(1S,7S,8R)-3,3,5,5-tetra(propan-2-yl)-2,4,6-trioxa-3,5-disilabicyclo[5.2.1]decan-8-yl]methanol
SMILESCC(C)[Si]1(C(C)C)O[C@H]2C[C@H](CO)[C@H](C2)O[Si](C(C)C)(C(C)C)O1
InChIInChI=1S/C18H38O4Si2/c1-12(2)23(13(3)4)20-17-9-16(11-19)18(10-17)21-24(22-23,14(5)6)15(7)8/h12-19H,9-11H2,1-8H3/t16-,17+,18+/m1/s1
InChIKeyOVYWNTQNAHZWKG-SQNIBIBYSA-N
MW374.67 g/mol
LogP4.71
Rot. Bonds5

About [(1S,7S,8R)-3,3,5,5-tetra(propan-2-yl)-2,4,6-trioxa-3,5-disilabicyclo[5.2.1]decan-8-yl]methanol

[(1S,7S,8R)-3,3,5,5-tetra(propan-2-yl)-2,4,6-trioxa-3,5-disilabicyclo[5.2.1]decan-8-yl]methanol (PubChem CID 25090375) has the molecular formula C18H38O4Si2 and a molecular weight of 374.67 g/mol. Its IUPAC name is [(1S,7S,8R)-3,3,5,5-tetra(propan-2-yl)-2,4,6-trioxa-3,5-disilabicyclo[5.2.1]decan-8-yl]methanol.

Molecular Properties

Compound Name[(1S,7S,8R)-3,3,5,5-tetra(propan-2-yl)-2,4,6-trioxa-3,5-disilabicyclo[5.2.1]decan-8-yl]methanol
PubChem CID25090375
Molecular FormulaC18H38O4Si2
Molecular Weight374.67 g/mol
Exact Mass374.23
IUPAC Name[(1S,7S,8R)-3,3,5,5-tetra(propan-2-yl)-2,4,6-trioxa-3,5-disilabicyclo[5.2.1]decan-8-yl]methanol
SMILESCC(C)[Si]1(C(C)C)O[C@H]2C[C@H](CO)[C@H](C2)O[Si](C(C)C)(C(C)C)O1
InChIInChI=1S/C18H38O4Si2/c1-12(2)23(13(3)4)20-17-9-16(11-19)18(10-17)21-24(22-23,14(5)6)15(7)8/h12-19H,9-11H2,1-8H3/t16-,17+,18+/m1/s1
InChIKeyOVYWNTQNAHZWKG-SQNIBIBYSA-N
XLogP4.71
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.67
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 [(1S,7S,8R)-3,3,5,5-tetra(propan-2-yl)-2,4,6-trioxa-3,5-disilabicyclo[5.2.1]decan-8-yl]methanol?
The IUPAC name of [(1S,7S,8R)-3,3,5,5-tetra(propan-2-yl)-2,4,6-trioxa-3,5-disilabicyclo[5.2.1]decan-8-yl]methanol (CID 25090375) is [(1S,7S,8R)-3,3,5,5-tetra(propan-2-yl)-2,4,6-trioxa-3,5-disilabicyclo[5.2.1]decan-8-yl]methanol.
What is the SMILES notation for [(1S,7S,8R)-3,3,5,5-tetra(propan-2-yl)-2,4,6-trioxa-3,5-disilabicyclo[5.2.1]decan-8-yl]methanol?
The canonical SMILES for [(1S,7S,8R)-3,3,5,5-tetra(propan-2-yl)-2,4,6-trioxa-3,5-disilabicyclo[5.2.1]decan-8-yl]methanol is CC(C)[Si]1(C(C)C)O[C@H]2C[C@H](CO)[C@H](C2)O[Si](C(C)C)(C(C)C)O1.
What is the InChIKey of [(1S,7S,8R)-3,3,5,5-tetra(propan-2-yl)-2,4,6-trioxa-3,5-disilabicyclo[5.2.1]decan-8-yl]methanol?
The InChIKey is OVYWNTQNAHZWKG-SQNIBIBYSA-N. The full InChI is InChI=1S/C18H38O4Si2/c1-12(2)23(13(3)4)20-17-9-16(11-19)18(10-17)21-24(22-23,14(5)6)15(7)8/h12-19H,9-11H2,1-8H3/t16-,17+,18+/m1/s1.
What are the key properties of [(1S,7S,8R)-3,3,5,5-tetra(propan-2-yl)-2,4,6-trioxa-3,5-disilabicyclo[5.2.1]decan-8-yl]methanol?
[(1S,7S,8R)-3,3,5,5-tetra(propan-2-yl)-2,4,6-trioxa-3,5-disilabicyclo[5.2.1]decan-8-yl]methanol has a molecular weight of 374.67 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,7S,8R)-3,3,5,5-tetra(propan-2-yl)-2,4,6-trioxa-3,5-disilabicyclo[5.2.1]decan-8-yl]methanol is sourced from PubChem (CID 25090375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).