4-(hydroxymethyl)-4,10,10-trimethylspiro[5.5]undecane-2,8-dione

C15H24O3 — CID 71399845

IUPAC4-(hydroxymethyl)-4,10,10-trimethylspiro[5.5]undecane-2,8-dione
SMILESCC1(C)CC(=O)CC2(CC(=O)CC(C)(CO)C2)C1
InChIInChI=1S/C15H24O3/c1-13(2)4-11(17)6-15(8-13)7-12(18)5-14(3,9-15)10-16/h16H,4-10H2,1-3H3
InChIKeyFHHHYVQMDWACBP-UHFFFAOYSA-N
MW252.35 g/mol
LogP2.50
Rot. Bonds1

About 4-(hydroxymethyl)-4,10,10-trimethylspiro[5.5]undecane-2,8-dione

4-(hydroxymethyl)-4,10,10-trimethylspiro[5.5]undecane-2,8-dione (PubChem CID 71399845) has the molecular formula C15H24O3 and a molecular weight of 252.35 g/mol. Its IUPAC name is 4-(hydroxymethyl)-4,10,10-trimethylspiro[5.5]undecane-2,8-dione.

Molecular Properties

Compound Name4-(hydroxymethyl)-4,10,10-trimethylspiro[5.5]undecane-2,8-dione
PubChem CID71399845
Molecular FormulaC15H24O3
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Name4-(hydroxymethyl)-4,10,10-trimethylspiro[5.5]undecane-2,8-dione
SMILESCC1(C)CC(=O)CC2(CC(=O)CC(C)(CO)C2)C1
InChIInChI=1S/C15H24O3/c1-13(2)4-11(17)6-15(8-13)7-12(18)5-14(3,9-15)10-16/h16H,4-10H2,1-3H3
InChIKeyFHHHYVQMDWACBP-UHFFFAOYSA-N
XLogP2.50
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-4,10,10-trimethylspiro[5.5]undecane-2,8-dione?
The IUPAC name of 4-(hydroxymethyl)-4,10,10-trimethylspiro[5.5]undecane-2,8-dione (CID 71399845) is 4-(hydroxymethyl)-4,10,10-trimethylspiro[5.5]undecane-2,8-dione.
What is the SMILES notation for 4-(hydroxymethyl)-4,10,10-trimethylspiro[5.5]undecane-2,8-dione?
The canonical SMILES for 4-(hydroxymethyl)-4,10,10-trimethylspiro[5.5]undecane-2,8-dione is CC1(C)CC(=O)CC2(CC(=O)CC(C)(CO)C2)C1.
What is the InChIKey of 4-(hydroxymethyl)-4,10,10-trimethylspiro[5.5]undecane-2,8-dione?
The InChIKey is FHHHYVQMDWACBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O3/c1-13(2)4-11(17)6-15(8-13)7-12(18)5-14(3,9-15)10-16/h16H,4-10H2,1-3H3.
What are the key properties of 4-(hydroxymethyl)-4,10,10-trimethylspiro[5.5]undecane-2,8-dione?
4-(hydroxymethyl)-4,10,10-trimethylspiro[5.5]undecane-2,8-dione has a molecular weight of 252.35 g/mol, XLogP of 2.50, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-4,10,10-trimethylspiro[5.5]undecane-2,8-dione is sourced from PubChem (CID 71399845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).