(10S)-spiro[1,2,3,4,5,6,7,8-octahydrophenanthrene-10,5'-oxolane]-2',9-dione

C17H20O3 — CID 162401783

IUPAC(10S)-spiro[1,2,3,4,5,6,7,8-octahydrophenanthrene-10,5'-oxolane]-2',9-dione
SMILESO=C1CC[C@@]2(O1)C(=O)C1=C(CCCC1)C1=C2CCCC1
InChIInChI=1S/C17H20O3/c18-15-9-10-17(20-15)14-8-4-3-6-12(14)11-5-1-2-7-13(11)16(17)19/h1-10H2/t17-/m0/s1
InChIKeyWNSYCDFLYVXQBS-KRWDZBQOSA-N
MW272.34 g/mol
LogP3.39
Rot. Bonds

About (10S)-spiro[1,2,3,4,5,6,7,8-octahydrophenanthrene-10,5'-oxolane]-2',9-dione

(10S)-spiro[1,2,3,4,5,6,7,8-octahydrophenanthrene-10,5'-oxolane]-2',9-dione (PubChem CID 162401783) has the molecular formula C17H20O3 and a molecular weight of 272.34 g/mol. Its IUPAC name is (10S)-spiro[1,2,3,4,5,6,7,8-octahydrophenanthrene-10,5'-oxolane]-2',9-dione.

Molecular Properties

Compound Name(10S)-spiro[1,2,3,4,5,6,7,8-octahydrophenanthrene-10,5'-oxolane]-2',9-dione
PubChem CID162401783
Molecular FormulaC17H20O3
Molecular Weight272.34 g/mol
Exact Mass272.14
IUPAC Name(10S)-spiro[1,2,3,4,5,6,7,8-octahydrophenanthrene-10,5'-oxolane]-2',9-dione
SMILESO=C1CC[C@@]2(O1)C(=O)C1=C(CCCC1)C1=C2CCCC1
InChIInChI=1S/C17H20O3/c18-15-9-10-17(20-15)14-8-4-3-6-12(14)11-5-1-2-7-13(11)16(17)19/h1-10H2/t17-/m0/s1
InChIKeyWNSYCDFLYVXQBS-KRWDZBQOSA-N
XLogP3.39
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (10S)-spiro[1,2,3,4,5,6,7,8-octahydrophenanthrene-10,5'-oxolane]-2',9-dione?
The IUPAC name of (10S)-spiro[1,2,3,4,5,6,7,8-octahydrophenanthrene-10,5'-oxolane]-2',9-dione (CID 162401783) is (10S)-spiro[1,2,3,4,5,6,7,8-octahydrophenanthrene-10,5'-oxolane]-2',9-dione.
What is the SMILES notation for (10S)-spiro[1,2,3,4,5,6,7,8-octahydrophenanthrene-10,5'-oxolane]-2',9-dione?
The canonical SMILES for (10S)-spiro[1,2,3,4,5,6,7,8-octahydrophenanthrene-10,5'-oxolane]-2',9-dione is O=C1CC[C@@]2(O1)C(=O)C1=C(CCCC1)C1=C2CCCC1.
What is the InChIKey of (10S)-spiro[1,2,3,4,5,6,7,8-octahydrophenanthrene-10,5'-oxolane]-2',9-dione?
The InChIKey is WNSYCDFLYVXQBS-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H20O3/c18-15-9-10-17(20-15)14-8-4-3-6-12(14)11-5-1-2-7-13(11)16(17)19/h1-10H2/t17-/m0/s1.
What are the key properties of (10S)-spiro[1,2,3,4,5,6,7,8-octahydrophenanthrene-10,5'-oxolane]-2',9-dione?
(10S)-spiro[1,2,3,4,5,6,7,8-octahydrophenanthrene-10,5'-oxolane]-2',9-dione has a molecular weight of 272.34 g/mol, XLogP of 3.39, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (10S)-spiro[1,2,3,4,5,6,7,8-octahydrophenanthrene-10,5'-oxolane]-2',9-dione is sourced from PubChem (CID 162401783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).