(4R,5R)-2,2,5,7-tetramethylspiro[1,4-dihydroindene-6,1'-cyclopropane]-1,4,5-triol

C15H22O3 — CID 10332352

IUPAC(4R,5R)-2,2,5,7-tetramethylspiro[1,4-dihydroindene-6,1'-cyclopropane]-1,4,5-triol
SMILESCC1=C2C(=CC(C)(C)C2O)[C@@H](O)[C@](C)(O)C12CC2
InChIInChI=1S/C15H22O3/c1-8-10-9(7-13(2,3)12(10)17)11(16)14(4,18)15(8)5-6-15/h7,11-12,16-18H,5-6H2,1-4H3/t11-,12?,14+/m1/s1
InChIKeyMBTBAQPUVNSQEB-SOGVLRHJSA-N
MW250.34 g/mol
LogP1.54
Rot. Bonds

About (4R,5R)-2,2,5,7-tetramethylspiro[1,4-dihydroindene-6,1'-cyclopropane]-1,4,5-triol

(4R,5R)-2,2,5,7-tetramethylspiro[1,4-dihydroindene-6,1'-cyclopropane]-1,4,5-triol (PubChem CID 10332352) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is (4R,5R)-2,2,5,7-tetramethylspiro[1,4-dihydroindene-6,1'-cyclopropane]-1,4,5-triol.

Molecular Properties

Compound Name(4R,5R)-2,2,5,7-tetramethylspiro[1,4-dihydroindene-6,1'-cyclopropane]-1,4,5-triol
PubChem CID10332352
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name(4R,5R)-2,2,5,7-tetramethylspiro[1,4-dihydroindene-6,1'-cyclopropane]-1,4,5-triol
SMILESCC1=C2C(=CC(C)(C)C2O)[C@@H](O)[C@](C)(O)C12CC2
InChIInChI=1S/C15H22O3/c1-8-10-9(7-13(2,3)12(10)17)11(16)14(4,18)15(8)5-6-15/h7,11-12,16-18H,5-6H2,1-4H3/t11-,12?,14+/m1/s1
InChIKeyMBTBAQPUVNSQEB-SOGVLRHJSA-N
XLogP1.54
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R,5R)-2,2,5,7-tetramethylspiro[1,4-dihydroindene-6,1'-cyclopropane]-1,4,5-triol?
The IUPAC name of (4R,5R)-2,2,5,7-tetramethylspiro[1,4-dihydroindene-6,1'-cyclopropane]-1,4,5-triol (CID 10332352) is (4R,5R)-2,2,5,7-tetramethylspiro[1,4-dihydroindene-6,1'-cyclopropane]-1,4,5-triol.
What is the SMILES notation for (4R,5R)-2,2,5,7-tetramethylspiro[1,4-dihydroindene-6,1'-cyclopropane]-1,4,5-triol?
The canonical SMILES for (4R,5R)-2,2,5,7-tetramethylspiro[1,4-dihydroindene-6,1'-cyclopropane]-1,4,5-triol is CC1=C2C(=CC(C)(C)C2O)[C@@H](O)[C@](C)(O)C12CC2.
What is the InChIKey of (4R,5R)-2,2,5,7-tetramethylspiro[1,4-dihydroindene-6,1'-cyclopropane]-1,4,5-triol?
The InChIKey is MBTBAQPUVNSQEB-SOGVLRHJSA-N. The full InChI is InChI=1S/C15H22O3/c1-8-10-9(7-13(2,3)12(10)17)11(16)14(4,18)15(8)5-6-15/h7,11-12,16-18H,5-6H2,1-4H3/t11-,12?,14+/m1/s1.
What are the key properties of (4R,5R)-2,2,5,7-tetramethylspiro[1,4-dihydroindene-6,1'-cyclopropane]-1,4,5-triol?
(4R,5R)-2,2,5,7-tetramethylspiro[1,4-dihydroindene-6,1'-cyclopropane]-1,4,5-triol has a molecular weight of 250.34 g/mol, XLogP of 1.54, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-2,2,5,7-tetramethylspiro[1,4-dihydroindene-6,1'-cyclopropane]-1,4,5-triol is sourced from PubChem (CID 10332352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).