(6R)-5,9-dihydroxy-9-(hydroxymethyl)-1,1,5-trimethylspiro[5.5]undecane-4,10-dione

C15H24O5 — CID 139590386

IUPAC(6R)-5,9-dihydroxy-9-(hydroxymethyl)-1,1,5-trimethylspiro[5.5]undecane-4,10-dione
SMILESCC1(C)CCC(=O)C(C)(O)[C@@]12CCC(O)(CO)C(=O)C2
InChIInChI=1S/C15H24O5/c1-12(2)5-4-10(17)13(3,19)15(12)7-6-14(20,9-16)11(18)8-15/h16,19-20H,4-9H2,1-3H3/t13?,14?,15-/m1/s1
InChIKeyXIZMSPFWWYOXRH-YMAMQOFZSA-N
MW284.35 g/mol
LogP0.59
Rot. Bonds1

About (6R)-5,9-dihydroxy-9-(hydroxymethyl)-1,1,5-trimethylspiro[5.5]undecane-4,10-dione

(6R)-5,9-dihydroxy-9-(hydroxymethyl)-1,1,5-trimethylspiro[5.5]undecane-4,10-dione (PubChem CID 139590386) has the molecular formula C15H24O5 and a molecular weight of 284.35 g/mol. Its IUPAC name is (6R)-5,9-dihydroxy-9-(hydroxymethyl)-1,1,5-trimethylspiro[5.5]undecane-4,10-dione.

Molecular Properties

Compound Name(6R)-5,9-dihydroxy-9-(hydroxymethyl)-1,1,5-trimethylspiro[5.5]undecane-4,10-dione
PubChem CID139590386
Molecular FormulaC15H24O5
Molecular Weight284.35 g/mol
Exact Mass284.16
IUPAC Name(6R)-5,9-dihydroxy-9-(hydroxymethyl)-1,1,5-trimethylspiro[5.5]undecane-4,10-dione
SMILESCC1(C)CCC(=O)C(C)(O)[C@@]12CCC(O)(CO)C(=O)C2
InChIInChI=1S/C15H24O5/c1-12(2)5-4-10(17)13(3,19)15(12)7-6-14(20,9-16)11(18)8-15/h16,19-20H,4-9H2,1-3H3/t13?,14?,15-/m1/s1
InChIKeyXIZMSPFWWYOXRH-YMAMQOFZSA-N
XLogP0.59
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.35
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (6R)-5,9-dihydroxy-9-(hydroxymethyl)-1,1,5-trimethylspiro[5.5]undecane-4,10-dione?
The IUPAC name of (6R)-5,9-dihydroxy-9-(hydroxymethyl)-1,1,5-trimethylspiro[5.5]undecane-4,10-dione (CID 139590386) is (6R)-5,9-dihydroxy-9-(hydroxymethyl)-1,1,5-trimethylspiro[5.5]undecane-4,10-dione.
What is the SMILES notation for (6R)-5,9-dihydroxy-9-(hydroxymethyl)-1,1,5-trimethylspiro[5.5]undecane-4,10-dione?
The canonical SMILES for (6R)-5,9-dihydroxy-9-(hydroxymethyl)-1,1,5-trimethylspiro[5.5]undecane-4,10-dione is CC1(C)CCC(=O)C(C)(O)[C@@]12CCC(O)(CO)C(=O)C2.
What is the InChIKey of (6R)-5,9-dihydroxy-9-(hydroxymethyl)-1,1,5-trimethylspiro[5.5]undecane-4,10-dione?
The InChIKey is XIZMSPFWWYOXRH-YMAMQOFZSA-N. The full InChI is InChI=1S/C15H24O5/c1-12(2)5-4-10(17)13(3,19)15(12)7-6-14(20,9-16)11(18)8-15/h16,19-20H,4-9H2,1-3H3/t13?,14?,15-/m1/s1.
What are the key properties of (6R)-5,9-dihydroxy-9-(hydroxymethyl)-1,1,5-trimethylspiro[5.5]undecane-4,10-dione?
(6R)-5,9-dihydroxy-9-(hydroxymethyl)-1,1,5-trimethylspiro[5.5]undecane-4,10-dione has a molecular weight of 284.35 g/mol, XLogP of 0.59, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-5,9-dihydroxy-9-(hydroxymethyl)-1,1,5-trimethylspiro[5.5]undecane-4,10-dione is sourced from PubChem (CID 139590386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).