(4R,5R)-4,7-dimethyl-5-triethylsilyloxyspiro[1,3a,4,5-tetrahydroindene-6,1'-cyclopropane]-1-ol

C19H32O2Si — CID 71129640

IUPAC(4R,5R)-4,7-dimethyl-5-triethylsilyloxyspiro[1,3a,4,5-tetrahydroindene-6,1'-cyclopropane]-1-ol
SMILESCC[Si](CC)(CC)O[C@@H]1[C@H](C)C2C=CC(O)C2=C(C)C12CC2
InChIInChI=1S/C19H32O2Si/c1-6-22(7-2,8-3)21-18-13(4)15-9-10-16(20)17(15)14(5)19(18)11-12-19/h9-10,13,15-16,18,20H,6-8,11-12H2,1-5H3/t13-,15?,16?,18-/m1/s1
InChIKeyGDSFUEDUPOATFW-DVUZTRGUSA-N
MW320.55 g/mol
LogP4.67
Rot. Bonds5

About (4R,5R)-4,7-dimethyl-5-triethylsilyloxyspiro[1,3a,4,5-tetrahydroindene-6,1'-cyclopropane]-1-ol

(4R,5R)-4,7-dimethyl-5-triethylsilyloxyspiro[1,3a,4,5-tetrahydroindene-6,1'-cyclopropane]-1-ol (PubChem CID 71129640) has the molecular formula C19H32O2Si and a molecular weight of 320.55 g/mol. Its IUPAC name is (4R,5R)-4,7-dimethyl-5-triethylsilyloxyspiro[1,3a,4,5-tetrahydroindene-6,1'-cyclopropane]-1-ol.

Molecular Properties

Compound Name(4R,5R)-4,7-dimethyl-5-triethylsilyloxyspiro[1,3a,4,5-tetrahydroindene-6,1'-cyclopropane]-1-ol
PubChem CID71129640
Molecular FormulaC19H32O2Si
Molecular Weight320.55 g/mol
Exact Mass320.22
IUPAC Name(4R,5R)-4,7-dimethyl-5-triethylsilyloxyspiro[1,3a,4,5-tetrahydroindene-6,1'-cyclopropane]-1-ol
SMILESCC[Si](CC)(CC)O[C@@H]1[C@H](C)C2C=CC(O)C2=C(C)C12CC2
InChIInChI=1S/C19H32O2Si/c1-6-22(7-2,8-3)21-18-13(4)15-9-10-16(20)17(15)14(5)19(18)11-12-19/h9-10,13,15-16,18,20H,6-8,11-12H2,1-5H3/t13-,15?,16?,18-/m1/s1
InChIKeyGDSFUEDUPOATFW-DVUZTRGUSA-N
XLogP4.67
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.55
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4R,5R)-4,7-dimethyl-5-triethylsilyloxyspiro[1,3a,4,5-tetrahydroindene-6,1'-cyclopropane]-1-ol?
The IUPAC name of (4R,5R)-4,7-dimethyl-5-triethylsilyloxyspiro[1,3a,4,5-tetrahydroindene-6,1'-cyclopropane]-1-ol (CID 71129640) is (4R,5R)-4,7-dimethyl-5-triethylsilyloxyspiro[1,3a,4,5-tetrahydroindene-6,1'-cyclopropane]-1-ol.
What is the SMILES notation for (4R,5R)-4,7-dimethyl-5-triethylsilyloxyspiro[1,3a,4,5-tetrahydroindene-6,1'-cyclopropane]-1-ol?
The canonical SMILES for (4R,5R)-4,7-dimethyl-5-triethylsilyloxyspiro[1,3a,4,5-tetrahydroindene-6,1'-cyclopropane]-1-ol is CC[Si](CC)(CC)O[C@@H]1[C@H](C)C2C=CC(O)C2=C(C)C12CC2.
What is the InChIKey of (4R,5R)-4,7-dimethyl-5-triethylsilyloxyspiro[1,3a,4,5-tetrahydroindene-6,1'-cyclopropane]-1-ol?
The InChIKey is GDSFUEDUPOATFW-DVUZTRGUSA-N. The full InChI is InChI=1S/C19H32O2Si/c1-6-22(7-2,8-3)21-18-13(4)15-9-10-16(20)17(15)14(5)19(18)11-12-19/h9-10,13,15-16,18,20H,6-8,11-12H2,1-5H3/t13-,15?,16?,18-/m1/s1.
What are the key properties of (4R,5R)-4,7-dimethyl-5-triethylsilyloxyspiro[1,3a,4,5-tetrahydroindene-6,1'-cyclopropane]-1-ol?
(4R,5R)-4,7-dimethyl-5-triethylsilyloxyspiro[1,3a,4,5-tetrahydroindene-6,1'-cyclopropane]-1-ol has a molecular weight of 320.55 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-4,7-dimethyl-5-triethylsilyloxyspiro[1,3a,4,5-tetrahydroindene-6,1'-cyclopropane]-1-ol is sourced from PubChem (CID 71129640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).