(6S,11S)-11-phenylspiro[5.5]undecan-5-one

C17H22O — CID 102210888

IUPAC(6S,11S)-11-phenylspiro[5.5]undecan-5-one
SMILESO=C1CCCC[C@]12CCCC[C@H]2c1ccccc1
InChIInChI=1S/C17H22O/c18-16-11-5-7-13-17(16)12-6-4-10-15(17)14-8-2-1-3-9-14/h1-3,8-9,15H,4-7,10-13H2/t15-,17-/m0/s1
InChIKeyDETLDPUYDNYOME-RDJZCZTQSA-N
MW242.36 g/mol
LogP4.47
Rot. Bonds1

About (6S,11S)-11-phenylspiro[5.5]undecan-5-one

(6S,11S)-11-phenylspiro[5.5]undecan-5-one (PubChem CID 102210888) has the molecular formula C17H22O and a molecular weight of 242.36 g/mol. Its IUPAC name is (6S,11S)-11-phenylspiro[5.5]undecan-5-one.

Molecular Properties

Compound Name(6S,11S)-11-phenylspiro[5.5]undecan-5-one
PubChem CID102210888
Molecular FormulaC17H22O
Molecular Weight242.36 g/mol
Exact Mass242.17
IUPAC Name(6S,11S)-11-phenylspiro[5.5]undecan-5-one
SMILESO=C1CCCC[C@]12CCCC[C@H]2c1ccccc1
InChIInChI=1S/C17H22O/c18-16-11-5-7-13-17(16)12-6-4-10-15(17)14-8-2-1-3-9-14/h1-3,8-9,15H,4-7,10-13H2/t15-,17-/m0/s1
InChIKeyDETLDPUYDNYOME-RDJZCZTQSA-N
XLogP4.47
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-phenylspiro[2.5]octan-8-one
CID 14952236
(6S)-11-hydroxyspiro[5.5]undecan-5-one
CID 157212438
(1R)-1-phenyl-2-azaspiro[3.4]octan-3-one
CID 125180932
(2S,3R)-2-phenyl-1-azaspiro[2.5]octan-4-one
CID 135031754
(5S,6R)-5-hydroxyspiro[5.6]dodecan-12-one
CID 25240702
(1,2-diphenylcyclohexyl)silane
CID 175556330
1-hydroxy-2-phenylcyclohexane-1-sulfonic acid
CID 103574511
trans-(1R,2S)-1-amino-2-phenylcycloheptane-1-carboxylic acid
CID 34176616
7-(1-phenylcyclohexyl)azepan-2-one
CID 101077852
(10R)-10-methylspiro[4.5]decan-4-one
CID 130834325
2-(3-oxo-1-phenyl-2-azaspiro[3.5]nonan-2-yl)-1-phenyl-2-azaspiro[3.5]nonan-3-one
CID 4267359
(5R,10R)-10-[tert-butyl(diphenyl)silyl]oxyspiro[4.5]decan-4-one
CID 10250796

Frequently Asked Questions

What is the IUPAC name of (6S,11S)-11-phenylspiro[5.5]undecan-5-one?
The IUPAC name of (6S,11S)-11-phenylspiro[5.5]undecan-5-one (CID 102210888) is (6S,11S)-11-phenylspiro[5.5]undecan-5-one.
What is the SMILES notation for (6S,11S)-11-phenylspiro[5.5]undecan-5-one?
The canonical SMILES for (6S,11S)-11-phenylspiro[5.5]undecan-5-one is O=C1CCCC[C@]12CCCC[C@H]2c1ccccc1.
What is the InChIKey of (6S,11S)-11-phenylspiro[5.5]undecan-5-one?
The InChIKey is DETLDPUYDNYOME-RDJZCZTQSA-N. The full InChI is InChI=1S/C17H22O/c18-16-11-5-7-13-17(16)12-6-4-10-15(17)14-8-2-1-3-9-14/h1-3,8-9,15H,4-7,10-13H2/t15-,17-/m0/s1.
What are the key properties of (6S,11S)-11-phenylspiro[5.5]undecan-5-one?
(6S,11S)-11-phenylspiro[5.5]undecan-5-one has a molecular weight of 242.36 g/mol, XLogP of 4.47, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6S,11S)-11-phenylspiro[5.5]undecan-5-one is sourced from PubChem (CID 102210888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).