(5S,6R,9R,10R)-10-hydroxy-9-(2-hydroxypropan-2-yl)-3,6-dimethylspiro[4.5]dec-3-en-2-one

C15H24O3 — CID 139591384

IUPAC(5S,6R,9R,10R)-10-hydroxy-9-(2-hydroxypropan-2-yl)-3,6-dimethylspiro[4.5]dec-3-en-2-one
SMILESCC1=C[C@]2(CC1=O)[C@H](C)CC[C@@H](C(C)(C)O)[C@H]2O
InChIInChI=1S/C15H24O3/c1-9-7-15(8-12(9)16)10(2)5-6-11(13(15)17)14(3,4)18/h7,10-11,13,17-18H,5-6,8H2,1-4H3/t10-,11-,13-,15+/m1/s1
InChIKeyBNNZBCVVNMFWMD-CVMIBZJCSA-N
MW252.35 g/mol
LogP2.07
Rot. Bonds1

About (5S,6R,9R,10R)-10-hydroxy-9-(2-hydroxypropan-2-yl)-3,6-dimethylspiro[4.5]dec-3-en-2-one

(5S,6R,9R,10R)-10-hydroxy-9-(2-hydroxypropan-2-yl)-3,6-dimethylspiro[4.5]dec-3-en-2-one (PubChem CID 139591384) has the molecular formula C15H24O3 and a molecular weight of 252.35 g/mol. Its IUPAC name is (5S,6R,9R,10R)-10-hydroxy-9-(2-hydroxypropan-2-yl)-3,6-dimethylspiro[4.5]dec-3-en-2-one.

Molecular Properties

Compound Name(5S,6R,9R,10R)-10-hydroxy-9-(2-hydroxypropan-2-yl)-3,6-dimethylspiro[4.5]dec-3-en-2-one
PubChem CID139591384
Molecular FormulaC15H24O3
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Name(5S,6R,9R,10R)-10-hydroxy-9-(2-hydroxypropan-2-yl)-3,6-dimethylspiro[4.5]dec-3-en-2-one
SMILESCC1=C[C@]2(CC1=O)[C@H](C)CC[C@@H](C(C)(C)O)[C@H]2O
InChIInChI=1S/C15H24O3/c1-9-7-15(8-12(9)16)10(2)5-6-11(13(15)17)14(3,4)18/h7,10-11,13,17-18H,5-6,8H2,1-4H3/t10-,11-,13-,15+/m1/s1
InChIKeyBNNZBCVVNMFWMD-CVMIBZJCSA-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

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Frequently Asked Questions

What is the IUPAC name of (5S,6R,9R,10R)-10-hydroxy-9-(2-hydroxypropan-2-yl)-3,6-dimethylspiro[4.5]dec-3-en-2-one?
The IUPAC name of (5S,6R,9R,10R)-10-hydroxy-9-(2-hydroxypropan-2-yl)-3,6-dimethylspiro[4.5]dec-3-en-2-one (CID 139591384) is (5S,6R,9R,10R)-10-hydroxy-9-(2-hydroxypropan-2-yl)-3,6-dimethylspiro[4.5]dec-3-en-2-one.
What is the SMILES notation for (5S,6R,9R,10R)-10-hydroxy-9-(2-hydroxypropan-2-yl)-3,6-dimethylspiro[4.5]dec-3-en-2-one?
The canonical SMILES for (5S,6R,9R,10R)-10-hydroxy-9-(2-hydroxypropan-2-yl)-3,6-dimethylspiro[4.5]dec-3-en-2-one is CC1=C[C@]2(CC1=O)[C@H](C)CC[C@@H](C(C)(C)O)[C@H]2O.
What is the InChIKey of (5S,6R,9R,10R)-10-hydroxy-9-(2-hydroxypropan-2-yl)-3,6-dimethylspiro[4.5]dec-3-en-2-one?
The InChIKey is BNNZBCVVNMFWMD-CVMIBZJCSA-N. The full InChI is InChI=1S/C15H24O3/c1-9-7-15(8-12(9)16)10(2)5-6-11(13(15)17)14(3,4)18/h7,10-11,13,17-18H,5-6,8H2,1-4H3/t10-,11-,13-,15+/m1/s1.
What are the key properties of (5S,6R,9R,10R)-10-hydroxy-9-(2-hydroxypropan-2-yl)-3,6-dimethylspiro[4.5]dec-3-en-2-one?
(5S,6R,9R,10R)-10-hydroxy-9-(2-hydroxypropan-2-yl)-3,6-dimethylspiro[4.5]dec-3-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 (5S,6R,9R,10R)-10-hydroxy-9-(2-hydroxypropan-2-yl)-3,6-dimethylspiro[4.5]dec-3-en-2-one is sourced from PubChem (CID 139591384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).