(6S,11R)-2-phenyl-1-oxaspiro[5.5]undec-2-en-11-ol

C16H20O2 — CID 101123590

IUPAC(6S,11R)-2-phenyl-1-oxaspiro[5.5]undec-2-en-11-ol
SMILESO[C@@H]1CCCC[C@]12CCC=C(c1ccccc1)O2
InChIInChI=1S/C16H20O2/c17-15-10-4-5-11-16(15)12-6-9-14(18-16)13-7-2-1-3-8-13/h1-3,7-9,15,17H,4-6,10-12H2/t15-,16+/m1/s1
InChIKeyNAVWLVOBDCNCCJ-CVEARBPZSA-N
MW244.33 g/mol
LogP3.51
Rot. Bonds1

About (6S,11R)-2-phenyl-1-oxaspiro[5.5]undec-2-en-11-ol

(6S,11R)-2-phenyl-1-oxaspiro[5.5]undec-2-en-11-ol (PubChem CID 101123590) has the molecular formula C16H20O2 and a molecular weight of 244.33 g/mol. Its IUPAC name is (6S,11R)-2-phenyl-1-oxaspiro[5.5]undec-2-en-11-ol.

Molecular Properties

Compound Name(6S,11R)-2-phenyl-1-oxaspiro[5.5]undec-2-en-11-ol
PubChem CID101123590
Molecular FormulaC16H20O2
Molecular Weight244.33 g/mol
Exact Mass244.15
IUPAC Name(6S,11R)-2-phenyl-1-oxaspiro[5.5]undec-2-en-11-ol
SMILESO[C@@H]1CCCC[C@]12CCC=C(c1ccccc1)O2
InChIInChI=1S/C16H20O2/c17-15-10-4-5-11-16(15)12-6-9-14(18-16)13-7-2-1-3-8-13/h1-3,7-9,15,17H,4-6,10-12H2/t15-,16+/m1/s1
InChIKeyNAVWLVOBDCNCCJ-CVEARBPZSA-N
XLogP3.51
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6S,11R)-2-phenyl-1-oxaspiro[5.5]undec-2-en-11-ol?
The IUPAC name of (6S,11R)-2-phenyl-1-oxaspiro[5.5]undec-2-en-11-ol (CID 101123590) is (6S,11R)-2-phenyl-1-oxaspiro[5.5]undec-2-en-11-ol.
What is the SMILES notation for (6S,11R)-2-phenyl-1-oxaspiro[5.5]undec-2-en-11-ol?
The canonical SMILES for (6S,11R)-2-phenyl-1-oxaspiro[5.5]undec-2-en-11-ol is O[C@@H]1CCCC[C@]12CCC=C(c1ccccc1)O2.
What is the InChIKey of (6S,11R)-2-phenyl-1-oxaspiro[5.5]undec-2-en-11-ol?
The InChIKey is NAVWLVOBDCNCCJ-CVEARBPZSA-N. The full InChI is InChI=1S/C16H20O2/c17-15-10-4-5-11-16(15)12-6-9-14(18-16)13-7-2-1-3-8-13/h1-3,7-9,15,17H,4-6,10-12H2/t15-,16+/m1/s1.
What are the key properties of (6S,11R)-2-phenyl-1-oxaspiro[5.5]undec-2-en-11-ol?
(6S,11R)-2-phenyl-1-oxaspiro[5.5]undec-2-en-11-ol has a molecular weight of 244.33 g/mol, XLogP of 3.51, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S,11R)-2-phenyl-1-oxaspiro[5.5]undec-2-en-11-ol is sourced from PubChem (CID 101123590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).