(3R,5R,6R)-3-(2-hydroxypropan-2-yl)-6,10-dimethylspiro[4.5]dec-9-en-8-one

C15H24O2 — CID 162885101

IUPAC(3R,5R,6R)-3-(2-hydroxypropan-2-yl)-6,10-dimethylspiro[4.5]dec-9-en-8-one
SMILESCC1=CC(=O)C[C@@H](C)[C@]12CC[C@@H](C(C)(C)O)C2
InChIInChI=1S/C15H24O2/c1-10-7-13(16)8-11(2)15(10)6-5-12(9-15)14(3,4)17/h7,11-12,17H,5-6,8-9H2,1-4H3/t11-,12-,15+/m1/s1
InChIKeySOAQZZHFSCGPCD-JMSVASOKSA-N
MW236.35 g/mol
LogP3.10
Rot. Bonds1

About (3R,5R,6R)-3-(2-hydroxypropan-2-yl)-6,10-dimethylspiro[4.5]dec-9-en-8-one

(3R,5R,6R)-3-(2-hydroxypropan-2-yl)-6,10-dimethylspiro[4.5]dec-9-en-8-one (PubChem CID 162885101) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is (3R,5R,6R)-3-(2-hydroxypropan-2-yl)-6,10-dimethylspiro[4.5]dec-9-en-8-one.

Molecular Properties

Compound Name(3R,5R,6R)-3-(2-hydroxypropan-2-yl)-6,10-dimethylspiro[4.5]dec-9-en-8-one
PubChem CID162885101
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name(3R,5R,6R)-3-(2-hydroxypropan-2-yl)-6,10-dimethylspiro[4.5]dec-9-en-8-one
SMILESCC1=CC(=O)C[C@@H](C)[C@]12CC[C@@H](C(C)(C)O)C2
InChIInChI=1S/C15H24O2/c1-10-7-13(16)8-11(2)15(10)6-5-12(9-15)14(3,4)17/h7,11-12,17H,5-6,8-9H2,1-4H3/t11-,12-,15+/m1/s1
InChIKeySOAQZZHFSCGPCD-JMSVASOKSA-N
XLogP3.10
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R,5R,6R)-3-(2-hydroxypropan-2-yl)-6,10-dimethylspiro[4.5]dec-9-en-8-one?
The IUPAC name of (3R,5R,6R)-3-(2-hydroxypropan-2-yl)-6,10-dimethylspiro[4.5]dec-9-en-8-one (CID 162885101) is (3R,5R,6R)-3-(2-hydroxypropan-2-yl)-6,10-dimethylspiro[4.5]dec-9-en-8-one.
What is the SMILES notation for (3R,5R,6R)-3-(2-hydroxypropan-2-yl)-6,10-dimethylspiro[4.5]dec-9-en-8-one?
The canonical SMILES for (3R,5R,6R)-3-(2-hydroxypropan-2-yl)-6,10-dimethylspiro[4.5]dec-9-en-8-one is CC1=CC(=O)C[C@@H](C)[C@]12CC[C@@H](C(C)(C)O)C2.
What is the InChIKey of (3R,5R,6R)-3-(2-hydroxypropan-2-yl)-6,10-dimethylspiro[4.5]dec-9-en-8-one?
The InChIKey is SOAQZZHFSCGPCD-JMSVASOKSA-N. The full InChI is InChI=1S/C15H24O2/c1-10-7-13(16)8-11(2)15(10)6-5-12(9-15)14(3,4)17/h7,11-12,17H,5-6,8-9H2,1-4H3/t11-,12-,15+/m1/s1.
What are the key properties of (3R,5R,6R)-3-(2-hydroxypropan-2-yl)-6,10-dimethylspiro[4.5]dec-9-en-8-one?
(3R,5R,6R)-3-(2-hydroxypropan-2-yl)-6,10-dimethylspiro[4.5]dec-9-en-8-one has a molecular weight of 236.35 g/mol, XLogP of 3.10, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R,6R)-3-(2-hydroxypropan-2-yl)-6,10-dimethylspiro[4.5]dec-9-en-8-one is sourced from PubChem (CID 162885101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).