(5R)-1-(hydroxymethyl)-2,5,7-trimethylspiro[4H-indene-6,1'-cyclopropane]-4,5-diol

C15H20O3 — CID 143408073

IUPAC(5R)-1-(hydroxymethyl)-2,5,7-trimethylspiro[4H-indene-6,1'-cyclopropane]-4,5-diol
SMILESCC1=C(CO)C2=C(C)C3(CC3)[C@@](C)(O)C(O)C2=C1
InChIInChI=1S/C15H20O3/c1-8-6-10-12(11(8)7-16)9(2)15(4-5-15)14(3,18)13(10)17/h6,13,16-18H,4-5,7H2,1-3H3/t13?,14-/m0/s1
InChIKeyHCESRJRLHBHWGH-KZUDCZAMSA-N
MW248.32 g/mol
LogP1.46
Rot. Bonds1

About (5R)-1-(hydroxymethyl)-2,5,7-trimethylspiro[4H-indene-6,1'-cyclopropane]-4,5-diol

(5R)-1-(hydroxymethyl)-2,5,7-trimethylspiro[4H-indene-6,1'-cyclopropane]-4,5-diol (PubChem CID 143408073) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is (5R)-1-(hydroxymethyl)-2,5,7-trimethylspiro[4H-indene-6,1'-cyclopropane]-4,5-diol.

Molecular Properties

Compound Name(5R)-1-(hydroxymethyl)-2,5,7-trimethylspiro[4H-indene-6,1'-cyclopropane]-4,5-diol
PubChem CID143408073
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name(5R)-1-(hydroxymethyl)-2,5,7-trimethylspiro[4H-indene-6,1'-cyclopropane]-4,5-diol
SMILESCC1=C(CO)C2=C(C)C3(CC3)[C@@](C)(O)C(O)C2=C1
InChIInChI=1S/C15H20O3/c1-8-6-10-12(11(8)7-16)9(2)15(4-5-15)14(3,18)13(10)17/h6,13,16-18H,4-5,7H2,1-3H3/t13?,14-/m0/s1
InChIKeyHCESRJRLHBHWGH-KZUDCZAMSA-N
XLogP1.46
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (5R)-1-(hydroxymethyl)-2,5,7-trimethylspiro[4H-indene-6,1'-cyclopropane]-4,5-diol 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
(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
Spiro(cyclopropane-1,5'-(5H)indene)-3',6',7'-triol, 2',3',6',7'-tetrahydro-2',2',4',6'-tetramethyl-, (3'S-(3'alpha,6'beta,7'alpha))-
CID 161813

Frequently Asked Questions

What is the IUPAC name of (5R)-1-(hydroxymethyl)-2,5,7-trimethylspiro[4H-indene-6,1'-cyclopropane]-4,5-diol?
The IUPAC name of (5R)-1-(hydroxymethyl)-2,5,7-trimethylspiro[4H-indene-6,1'-cyclopropane]-4,5-diol (CID 143408073) is (5R)-1-(hydroxymethyl)-2,5,7-trimethylspiro[4H-indene-6,1'-cyclopropane]-4,5-diol.
What is the SMILES notation for (5R)-1-(hydroxymethyl)-2,5,7-trimethylspiro[4H-indene-6,1'-cyclopropane]-4,5-diol?
The canonical SMILES for (5R)-1-(hydroxymethyl)-2,5,7-trimethylspiro[4H-indene-6,1'-cyclopropane]-4,5-diol is CC1=C(CO)C2=C(C)C3(CC3)[C@@](C)(O)C(O)C2=C1.
What is the InChIKey of (5R)-1-(hydroxymethyl)-2,5,7-trimethylspiro[4H-indene-6,1'-cyclopropane]-4,5-diol?
The InChIKey is HCESRJRLHBHWGH-KZUDCZAMSA-N. The full InChI is InChI=1S/C15H20O3/c1-8-6-10-12(11(8)7-16)9(2)15(4-5-15)14(3,18)13(10)17/h6,13,16-18H,4-5,7H2,1-3H3/t13?,14-/m0/s1.
What are the key properties of (5R)-1-(hydroxymethyl)-2,5,7-trimethylspiro[4H-indene-6,1'-cyclopropane]-4,5-diol?
(5R)-1-(hydroxymethyl)-2,5,7-trimethylspiro[4H-indene-6,1'-cyclopropane]-4,5-diol has a molecular weight of 248.32 g/mol, XLogP of 1.46, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-1-(hydroxymethyl)-2,5,7-trimethylspiro[4H-indene-6,1'-cyclopropane]-4,5-diol is sourced from PubChem (CID 143408073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).