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

C15H22O3 — CID 163190363

IUPAC(1S,4S,5R)-2,2,5,7-tetramethylspiro[1,4-dihydroindene-6,1'-cyclopropane]-1,4,5-triol
SMILESCC1=C2C(=CC(C)(C)[C@@H]2O)[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-/m0/s1
InChIKeyMBTBAQPUVNSQEB-SCRDCRAPSA-N
MW250.34 g/mol
LogP1.54
Rot. Bonds

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

(1S,4S,5R)-2,2,5,7-tetramethylspiro[1,4-dihydroindene-6,1'-cyclopropane]-1,4,5-triol (PubChem CID 163190363) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is (1S,4S,5R)-2,2,5,7-tetramethylspiro[1,4-dihydroindene-6,1'-cyclopropane]-1,4,5-triol.

Molecular Properties

Compound Name(1S,4S,5R)-2,2,5,7-tetramethylspiro[1,4-dihydroindene-6,1'-cyclopropane]-1,4,5-triol
PubChem CID163190363
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name(1S,4S,5R)-2,2,5,7-tetramethylspiro[1,4-dihydroindene-6,1'-cyclopropane]-1,4,5-triol
SMILESCC1=C2C(=CC(C)(C)[C@@H]2O)[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-/m0/s1
InChIKeyMBTBAQPUVNSQEB-SCRDCRAPSA-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

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

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Related Compounds

7,9-Illudadiene-3,14-diol
CID 91752244
(1S,2R)-4-(2-hydroxypropan-2-yl)-1-methylcyclohex-3-ene-1,2-diol
CID 57404439
2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-diene-7,8-diol
CID 131752035
toxin FS2
CID 13857023
(1S,2S,4S,5Z,7Z,9R)-8-(hydroxymethyl)-4,11,11-trimethylbicyclo[7.2.0]undeca-5,7-diene-1,2,4-triol
CID 11630387
(4Z,6S,9R,9aR)-9a-hydroperoxy-2,2,5,9-tetramethyl-6,7,8,9-tetrahydro-1H-cyclopenta[8]annulen-6-ol
CID 73353712
(4Z,6S,9R,9aS)-9a-hydroperoxy-2,2,5,9-tetramethyl-6,7,8,9-tetrahydro-1H-cyclopenta[8]annulen-6-ol
CID 73353713
Hypocoprin C
CID 122177431
(3S,4S,7R)-dihydroilludin M
CID 127038341
(3a(2)aS,4a(2)R)-2a(2),3a(2),3a(2)a,4a(2)-Tetrahydro-4a(2)-hydroxy-2a(2),2a(2),4a(2)-trimethylspiro[cyclopropane-1,5a(2)-[5H]indene]-6a(2)-methanol
CID 127038498
Illudadiene A
CID 127038500
Illudadiene B
CID 127038501

Frequently Asked Questions

What is the IUPAC name of (1S,4S,5R)-2,2,5,7-tetramethylspiro[1,4-dihydroindene-6,1'-cyclopropane]-1,4,5-triol?
The IUPAC name of (1S,4S,5R)-2,2,5,7-tetramethylspiro[1,4-dihydroindene-6,1'-cyclopropane]-1,4,5-triol (CID 163190363) is (1S,4S,5R)-2,2,5,7-tetramethylspiro[1,4-dihydroindene-6,1'-cyclopropane]-1,4,5-triol.
What is the SMILES notation for (1S,4S,5R)-2,2,5,7-tetramethylspiro[1,4-dihydroindene-6,1'-cyclopropane]-1,4,5-triol?
The canonical SMILES for (1S,4S,5R)-2,2,5,7-tetramethylspiro[1,4-dihydroindene-6,1'-cyclopropane]-1,4,5-triol is CC1=C2C(=CC(C)(C)[C@@H]2O)[C@H](O)[C@](C)(O)C12CC2.
What is the InChIKey of (1S,4S,5R)-2,2,5,7-tetramethylspiro[1,4-dihydroindene-6,1'-cyclopropane]-1,4,5-triol?
The InChIKey is MBTBAQPUVNSQEB-SCRDCRAPSA-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-/m0/s1.
What are the key properties of (1S,4S,5R)-2,2,5,7-tetramethylspiro[1,4-dihydroindene-6,1'-cyclopropane]-1,4,5-triol?
(1S,4S,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 (1S,4S,5R)-2,2,5,7-tetramethylspiro[1,4-dihydroindene-6,1'-cyclopropane]-1,4,5-triol is sourced from PubChem (CID 163190363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).