(5R,6S,12R)-12-[tert-butyl(dimethyl)silyl]oxy-4,7-dioxadispiro[4.0.46.45]tetradecan-11-one

C18H32O4Si — CID 10593282

IUPAC(5R,6S,12R)-12-[tert-butyl(dimethyl)silyl]oxy-4,7-dioxadispiro[4.0.46.45]tetradecan-11-one
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1CC[C@]2(CCCO2)[C@@]2(CCCO2)C1=O
InChIInChI=1S/C18H32O4Si/c1-16(2,3)23(4,5)22-14-8-11-17(9-6-12-20-17)18(15(14)19)10-7-13-21-18/h14H,6-13H2,1-5H3/t14-,17-,18-/m1/s1
InChIKeyCGOFNONQBVUREP-ZTFGCOKTSA-N
MW340.54 g/mol
LogP3.84
Rot. Bonds2

About (5R,6S,12R)-12-[tert-butyl(dimethyl)silyl]oxy-4,7-dioxadispiro[4.0.46.45]tetradecan-11-one

(5R,6S,12R)-12-[tert-butyl(dimethyl)silyl]oxy-4,7-dioxadispiro[4.0.46.45]tetradecan-11-one (PubChem CID 10593282) has the molecular formula C18H32O4Si and a molecular weight of 340.54 g/mol. Its IUPAC name is (5R,6S,12R)-12-[tert-butyl(dimethyl)silyl]oxy-4,7-dioxadispiro[4.0.46.45]tetradecan-11-one.

Molecular Properties

Compound Name(5R,6S,12R)-12-[tert-butyl(dimethyl)silyl]oxy-4,7-dioxadispiro[4.0.46.45]tetradecan-11-one
PubChem CID10593282
Molecular FormulaC18H32O4Si
Molecular Weight340.54 g/mol
Exact Mass340.21
IUPAC Name(5R,6S,12R)-12-[tert-butyl(dimethyl)silyl]oxy-4,7-dioxadispiro[4.0.46.45]tetradecan-11-one
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1CC[C@]2(CCCO2)[C@@]2(CCCO2)C1=O
InChIInChI=1S/C18H32O4Si/c1-16(2,3)23(4,5)22-14-8-11-17(9-6-12-20-17)18(15(14)19)10-7-13-21-18/h14H,6-13H2,1-5H3/t14-,17-,18-/m1/s1
InChIKeyCGOFNONQBVUREP-ZTFGCOKTSA-N
XLogP3.84
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.54
LogP ≤ 53.84
H-Bond Donors ≤ 50
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 (5R,6S,12R)-12-[tert-butyl(dimethyl)silyl]oxy-4,7-dioxadispiro[4.0.46.45]tetradecan-11-one?
The IUPAC name of (5R,6S,12R)-12-[tert-butyl(dimethyl)silyl]oxy-4,7-dioxadispiro[4.0.46.45]tetradecan-11-one (CID 10593282) is (5R,6S,12R)-12-[tert-butyl(dimethyl)silyl]oxy-4,7-dioxadispiro[4.0.46.45]tetradecan-11-one.
What is the SMILES notation for (5R,6S,12R)-12-[tert-butyl(dimethyl)silyl]oxy-4,7-dioxadispiro[4.0.46.45]tetradecan-11-one?
The canonical SMILES for (5R,6S,12R)-12-[tert-butyl(dimethyl)silyl]oxy-4,7-dioxadispiro[4.0.46.45]tetradecan-11-one is CC(C)(C)[Si](C)(C)O[C@@H]1CC[C@]2(CCCO2)[C@@]2(CCCO2)C1=O.
What is the InChIKey of (5R,6S,12R)-12-[tert-butyl(dimethyl)silyl]oxy-4,7-dioxadispiro[4.0.46.45]tetradecan-11-one?
The InChIKey is CGOFNONQBVUREP-ZTFGCOKTSA-N. The full InChI is InChI=1S/C18H32O4Si/c1-16(2,3)23(4,5)22-14-8-11-17(9-6-12-20-17)18(15(14)19)10-7-13-21-18/h14H,6-13H2,1-5H3/t14-,17-,18-/m1/s1.
What are the key properties of (5R,6S,12R)-12-[tert-butyl(dimethyl)silyl]oxy-4,7-dioxadispiro[4.0.46.45]tetradecan-11-one?
(5R,6S,12R)-12-[tert-butyl(dimethyl)silyl]oxy-4,7-dioxadispiro[4.0.46.45]tetradecan-11-one has a molecular weight of 340.54 g/mol, XLogP of 3.84, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6S,12R)-12-[tert-butyl(dimethyl)silyl]oxy-4,7-dioxadispiro[4.0.46.45]tetradecan-11-one is sourced from PubChem (CID 10593282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).