(2'S,5'R)-5'-hydroxy-2'-(hydroxymethyl)-2',5',7'-trimethylspiro[cyclopropane-1,6'-indene]-1',4'-dione

C15H18O4 — CID 10220879

IUPAC(2'S,5'R)-5'-hydroxy-2'-(hydroxymethyl)-2',5',7'-trimethylspiro[cyclopropane-1,6'-indene]-1',4'-dione
SMILESCC1=C2C(=O)[C@](C)(CO)C=C2C(=O)[C@](C)(O)C12CC2
InChIInChI=1S/C15H18O4/c1-8-10-9(6-13(2,7-16)12(10)18)11(17)14(3,19)15(8)4-5-15/h6,16,19H,4-5,7H2,1-3H3/t13-,14-/m0/s1
InChIKeyDWNQAXIMPMLDHB-KBPBESRZSA-N
MW262.30 g/mol
LogP0.92
Rot. Bonds1

About (2'S,5'R)-5'-hydroxy-2'-(hydroxymethyl)-2',5',7'-trimethylspiro[cyclopropane-1,6'-indene]-1',4'-dione

(2'S,5'R)-5'-hydroxy-2'-(hydroxymethyl)-2',5',7'-trimethylspiro[cyclopropane-1,6'-indene]-1',4'-dione (PubChem CID 10220879) has the molecular formula C15H18O4 and a molecular weight of 262.30 g/mol. Its IUPAC name is (2'S,5'R)-5'-hydroxy-2'-(hydroxymethyl)-2',5',7'-trimethylspiro[cyclopropane-1,6'-indene]-1',4'-dione.

Molecular Properties

Compound Name(2'S,5'R)-5'-hydroxy-2'-(hydroxymethyl)-2',5',7'-trimethylspiro[cyclopropane-1,6'-indene]-1',4'-dione
PubChem CID10220879
Molecular FormulaC15H18O4
Molecular Weight262.30 g/mol
Exact Mass262.12
IUPAC Name(2'S,5'R)-5'-hydroxy-2'-(hydroxymethyl)-2',5',7'-trimethylspiro[cyclopropane-1,6'-indene]-1',4'-dione
SMILESCC1=C2C(=O)[C@](C)(CO)C=C2C(=O)[C@](C)(O)C12CC2
InChIInChI=1S/C15H18O4/c1-8-10-9(6-13(2,7-16)12(10)18)11(17)14(3,19)15(8)4-5-15/h6,16,19H,4-5,7H2,1-3H3/t13-,14-/m0/s1
InChIKeyDWNQAXIMPMLDHB-KBPBESRZSA-N
XLogP0.92
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2'S,5'R)-5'-hydroxy-2'-(hydroxymethyl)-2',5',7'-trimethylspiro[cyclopropane-1,6'-indene]-1',4'-dione?
The IUPAC name of (2'S,5'R)-5'-hydroxy-2'-(hydroxymethyl)-2',5',7'-trimethylspiro[cyclopropane-1,6'-indene]-1',4'-dione (CID 10220879) is (2'S,5'R)-5'-hydroxy-2'-(hydroxymethyl)-2',5',7'-trimethylspiro[cyclopropane-1,6'-indene]-1',4'-dione.
What is the SMILES notation for (2'S,5'R)-5'-hydroxy-2'-(hydroxymethyl)-2',5',7'-trimethylspiro[cyclopropane-1,6'-indene]-1',4'-dione?
The canonical SMILES for (2'S,5'R)-5'-hydroxy-2'-(hydroxymethyl)-2',5',7'-trimethylspiro[cyclopropane-1,6'-indene]-1',4'-dione is CC1=C2C(=O)[C@](C)(CO)C=C2C(=O)[C@](C)(O)C12CC2.
What is the InChIKey of (2'S,5'R)-5'-hydroxy-2'-(hydroxymethyl)-2',5',7'-trimethylspiro[cyclopropane-1,6'-indene]-1',4'-dione?
The InChIKey is DWNQAXIMPMLDHB-KBPBESRZSA-N. The full InChI is InChI=1S/C15H18O4/c1-8-10-9(6-13(2,7-16)12(10)18)11(17)14(3,19)15(8)4-5-15/h6,16,19H,4-5,7H2,1-3H3/t13-,14-/m0/s1.
What are the key properties of (2'S,5'R)-5'-hydroxy-2'-(hydroxymethyl)-2',5',7'-trimethylspiro[cyclopropane-1,6'-indene]-1',4'-dione?
(2'S,5'R)-5'-hydroxy-2'-(hydroxymethyl)-2',5',7'-trimethylspiro[cyclopropane-1,6'-indene]-1',4'-dione has a molecular weight of 262.30 g/mol, XLogP of 0.92, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2'S,5'R)-5'-hydroxy-2'-(hydroxymethyl)-2',5',7'-trimethylspiro[cyclopropane-1,6'-indene]-1',4'-dione is sourced from PubChem (CID 10220879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).