(6R)-4-hydroxy-9-(hydroxymethyl)-1,5,5-trimethylspiro[5.5]undec-9-en-2-one

C15H24O3 — CID 139590769

IUPAC(6R)-4-hydroxy-9-(hydroxymethyl)-1,5,5-trimethylspiro[5.5]undec-9-en-2-one
SMILESCC1C(=O)CC(O)C(C)(C)[C@]12CC=C(CO)CC2
InChIInChI=1S/C15H24O3/c1-10-12(17)8-13(18)14(2,3)15(10)6-4-11(9-16)5-7-15/h4,10,13,16,18H,5-9H2,1-3H3/t10?,13?,15-/m0/s1
InChIKeyIVAZEZHNXPTPQF-KHXKVGHRSA-N
MW252.35 g/mol
LogP2.07
Rot. Bonds1

About (6R)-4-hydroxy-9-(hydroxymethyl)-1,5,5-trimethylspiro[5.5]undec-9-en-2-one

(6R)-4-hydroxy-9-(hydroxymethyl)-1,5,5-trimethylspiro[5.5]undec-9-en-2-one (PubChem CID 139590769) has the molecular formula C15H24O3 and a molecular weight of 252.35 g/mol. Its IUPAC name is (6R)-4-hydroxy-9-(hydroxymethyl)-1,5,5-trimethylspiro[5.5]undec-9-en-2-one.

Molecular Properties

Compound Name(6R)-4-hydroxy-9-(hydroxymethyl)-1,5,5-trimethylspiro[5.5]undec-9-en-2-one
PubChem CID139590769
Molecular FormulaC15H24O3
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Name(6R)-4-hydroxy-9-(hydroxymethyl)-1,5,5-trimethylspiro[5.5]undec-9-en-2-one
SMILESCC1C(=O)CC(O)C(C)(C)[C@]12CC=C(CO)CC2
InChIInChI=1S/C15H24O3/c1-10-12(17)8-13(18)14(2,3)15(10)6-4-11(9-16)5-7-15/h4,10,13,16,18H,5-9H2,1-3H3/t10?,13?,15-/m0/s1
InChIKeyIVAZEZHNXPTPQF-KHXKVGHRSA-N
XLogP2.07
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6R)-4-hydroxy-9-(hydroxymethyl)-1,5,5-trimethylspiro[5.5]undec-9-en-2-one?
The IUPAC name of (6R)-4-hydroxy-9-(hydroxymethyl)-1,5,5-trimethylspiro[5.5]undec-9-en-2-one (CID 139590769) is (6R)-4-hydroxy-9-(hydroxymethyl)-1,5,5-trimethylspiro[5.5]undec-9-en-2-one.
What is the SMILES notation for (6R)-4-hydroxy-9-(hydroxymethyl)-1,5,5-trimethylspiro[5.5]undec-9-en-2-one?
The canonical SMILES for (6R)-4-hydroxy-9-(hydroxymethyl)-1,5,5-trimethylspiro[5.5]undec-9-en-2-one is CC1C(=O)CC(O)C(C)(C)[C@]12CC=C(CO)CC2.
What is the InChIKey of (6R)-4-hydroxy-9-(hydroxymethyl)-1,5,5-trimethylspiro[5.5]undec-9-en-2-one?
The InChIKey is IVAZEZHNXPTPQF-KHXKVGHRSA-N. The full InChI is InChI=1S/C15H24O3/c1-10-12(17)8-13(18)14(2,3)15(10)6-4-11(9-16)5-7-15/h4,10,13,16,18H,5-9H2,1-3H3/t10?,13?,15-/m0/s1.
What are the key properties of (6R)-4-hydroxy-9-(hydroxymethyl)-1,5,5-trimethylspiro[5.5]undec-9-en-2-one?
(6R)-4-hydroxy-9-(hydroxymethyl)-1,5,5-trimethylspiro[5.5]undec-9-en-2-one has a molecular weight of 252.35 g/mol, XLogP of 2.07, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-4-hydroxy-9-(hydroxymethyl)-1,5,5-trimethylspiro[5.5]undec-9-en-2-one is sourced from PubChem (CID 139590769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).