3-(1,2-dihydroxypropan-2-yl)-7-hydroxy-6,10-dimethylspiro[4.5]dec-9-en-8-one

C15H24O4 — CID 539964

IUPAC3-(1,2-dihydroxypropan-2-yl)-7-hydroxy-6,10-dimethylspiro[4.5]dec-9-en-8-one
SMILESCC1=CC(=O)C(O)C(C)C12CCC(C(C)(O)CO)C2
InChIInChI=1S/C15H24O4/c1-9-6-12(17)13(18)10(2)15(9)5-4-11(7-15)14(3,19)8-16/h6,10-11,13,16,18-19H,4-5,7-8H2,1-3H3
InChIKeyDQOOWVDEQWNBKX-UHFFFAOYSA-N
MW268.35 g/mol
LogP1.04
Rot. Bonds2

About 3-(1,2-dihydroxypropan-2-yl)-7-hydroxy-6,10-dimethylspiro[4.5]dec-9-en-8-one

3-(1,2-dihydroxypropan-2-yl)-7-hydroxy-6,10-dimethylspiro[4.5]dec-9-en-8-one (PubChem CID 539964) has the molecular formula C15H24O4 and a molecular weight of 268.35 g/mol. Its IUPAC name is 3-(1,2-dihydroxypropan-2-yl)-7-hydroxy-6,10-dimethylspiro[4.5]dec-9-en-8-one.

Molecular Properties

Compound Name3-(1,2-dihydroxypropan-2-yl)-7-hydroxy-6,10-dimethylspiro[4.5]dec-9-en-8-one
PubChem CID539964
Molecular FormulaC15H24O4
Molecular Weight268.35 g/mol
Exact Mass268.17
IUPAC Name3-(1,2-dihydroxypropan-2-yl)-7-hydroxy-6,10-dimethylspiro[4.5]dec-9-en-8-one
SMILESCC1=CC(=O)C(O)C(C)C12CCC(C(C)(O)CO)C2
InChIInChI=1S/C15H24O4/c1-9-6-12(17)13(18)10(2)15(9)5-4-11(7-15)14(3,19)8-16/h6,10-11,13,16,18-19H,4-5,7-8H2,1-3H3
InChIKeyDQOOWVDEQWNBKX-UHFFFAOYSA-N
XLogP1.04
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1,2-dihydroxypropan-2-yl)-7-hydroxy-6,10-dimethylspiro[4.5]dec-9-en-8-one?
The IUPAC name of 3-(1,2-dihydroxypropan-2-yl)-7-hydroxy-6,10-dimethylspiro[4.5]dec-9-en-8-one (CID 539964) is 3-(1,2-dihydroxypropan-2-yl)-7-hydroxy-6,10-dimethylspiro[4.5]dec-9-en-8-one.
What is the SMILES notation for 3-(1,2-dihydroxypropan-2-yl)-7-hydroxy-6,10-dimethylspiro[4.5]dec-9-en-8-one?
The canonical SMILES for 3-(1,2-dihydroxypropan-2-yl)-7-hydroxy-6,10-dimethylspiro[4.5]dec-9-en-8-one is CC1=CC(=O)C(O)C(C)C12CCC(C(C)(O)CO)C2.
What is the InChIKey of 3-(1,2-dihydroxypropan-2-yl)-7-hydroxy-6,10-dimethylspiro[4.5]dec-9-en-8-one?
The InChIKey is DQOOWVDEQWNBKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O4/c1-9-6-12(17)13(18)10(2)15(9)5-4-11(7-15)14(3,19)8-16/h6,10-11,13,16,18-19H,4-5,7-8H2,1-3H3.
What are the key properties of 3-(1,2-dihydroxypropan-2-yl)-7-hydroxy-6,10-dimethylspiro[4.5]dec-9-en-8-one?
3-(1,2-dihydroxypropan-2-yl)-7-hydroxy-6,10-dimethylspiro[4.5]dec-9-en-8-one has a molecular weight of 268.35 g/mol, XLogP of 1.04, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2-dihydroxypropan-2-yl)-7-hydroxy-6,10-dimethylspiro[4.5]dec-9-en-8-one is sourced from PubChem (CID 539964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).