2',2',10,13-tetramethylspiro[1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-17,5'-1,3-oxazolidin-3-ium]

C23H40NO+ — CID 4048139

IUPAC2',2',10,13-tetramethylspiro[1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-17,5'-1,3-oxazolidin-3-ium]
SMILESCC1(C)[NH2+]CC2(CCC3C4CCC5CCCCC5(C)C4CCC32C)O1
InChIInChI=1S/C23H39NO/c1-20(2)24-15-23(25-20)14-11-19-17-9-8-16-7-5-6-12-21(16,3)18(17)10-13-22(19,23)4/h16-19,24H,5-15H2,1-4H3/p+1
InChIKeyXNXXTZVYIJSAOG-UHFFFAOYSA-O
MW346.58 g/mol
LogP4.49
Rot. Bonds

About 2',2',10,13-tetramethylspiro[1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-17,5'-1,3-oxazolidin-3-ium]

2',2',10,13-tetramethylspiro[1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-17,5'-1,3-oxazolidin-3-ium] (PubChem CID 4048139) has the molecular formula C23H40NO+ and a molecular weight of 346.58 g/mol. Its IUPAC name is 2',2',10,13-tetramethylspiro[1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-17,5'-1,3-oxazolidin-3-ium].

Molecular Properties

Compound Name2',2',10,13-tetramethylspiro[1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-17,5'-1,3-oxazolidin-3-ium]
PubChem CID4048139
Molecular FormulaC23H40NO+
Molecular Weight346.58 g/mol
Exact Mass346.31
IUPAC Name2',2',10,13-tetramethylspiro[1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-17,5'-1,3-oxazolidin-3-ium]
SMILESCC1(C)[NH2+]CC2(CCC3C4CCC5CCCCC5(C)C4CCC32C)O1
InChIInChI=1S/C23H39NO/c1-20(2)24-15-23(25-20)14-11-19-17-9-8-16-7-5-6-12-21(16,3)18(17)10-13-22(19,23)4/h16-19,24H,5-15H2,1-4H3/p+1
InChIKeyXNXXTZVYIJSAOG-UHFFFAOYSA-O
XLogP4.49
TPSA25.84 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.58
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2',2',10,13-tetramethylspiro[1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-17,5'-1,3-oxazolidin-3-ium] with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5R,8R,9R,10S,13S,14S,17R)-10,13-dimethylspiro[1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-17,2'-oxetane]
CID 7074702
(5S,8R,9S,10S,13S,14S,17R)-10,13-dimethylspiro[1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-17,2'-oxetane]
CID 99568843
(5R,8S,9S,10S,13S,14R,17R)-10,13-dimethylspiro[1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-17,2'-oxetane]
CID 11871990
(5R,8R,9S,10S,13S,14R,17S)-2',2',10,13-tetramethylspiro[1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-17,5'-1,3-oxazolidine]
CID 51902546
(5S,8S,9R,10S,13S,14S,17S)-10,13,17-trimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-ol
CID 7177692
(5S,8R,9S,10S,13R,14R)-10,13-dimethylspiro[1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-17,2'-1,3-dioxolane]
CID 11867840
(5R,8R,9S,10S,13S,14S,17R)-10,13-dimethylspiro[1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-17,2'-thiirane]
CID 99567170
2-iodo-1-[(5R,8R,9R,10S,13S,14R,17S)-2',2',10,13-tetramethylspiro[1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-17,5'-1,3-oxazolidine]-3'-yl]ethanone
CID 7003226
(5R,8R,9S,10S,13S,14R,17R)-17-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-17-carbonitrile
CID 124903162
10,13-dimethylspiro[1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-17,2'-1,3-dithiolane]
CID 15537734
(8R,10S,13S,17R)-10,13-dimethyl-17-propan-2-yl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-ol
CID 165146159
(5R,8R,9S,10S,13S,14S,17R)-10,13-dimethyl-17-propan-2-yl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-ol
CID 155640298

Frequently Asked Questions

What is the IUPAC name of 2',2',10,13-tetramethylspiro[1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-17,5'-1,3-oxazolidin-3-ium]?
The IUPAC name of 2',2',10,13-tetramethylspiro[1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-17,5'-1,3-oxazolidin-3-ium] (CID 4048139) is 2',2',10,13-tetramethylspiro[1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-17,5'-1,3-oxazolidin-3-ium].
What is the SMILES notation for 2',2',10,13-tetramethylspiro[1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-17,5'-1,3-oxazolidin-3-ium]?
The canonical SMILES for 2',2',10,13-tetramethylspiro[1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-17,5'-1,3-oxazolidin-3-ium] is CC1(C)[NH2+]CC2(CCC3C4CCC5CCCCC5(C)C4CCC32C)O1.
What is the InChIKey of 2',2',10,13-tetramethylspiro[1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-17,5'-1,3-oxazolidin-3-ium]?
The InChIKey is XNXXTZVYIJSAOG-UHFFFAOYSA-O. The full InChI is InChI=1S/C23H39NO/c1-20(2)24-15-23(25-20)14-11-19-17-9-8-16-7-5-6-12-21(16,3)18(17)10-13-22(19,23)4/h16-19,24H,5-15H2,1-4H3/p+1.
What are the key properties of 2',2',10,13-tetramethylspiro[1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-17,5'-1,3-oxazolidin-3-ium]?
2',2',10,13-tetramethylspiro[1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-17,5'-1,3-oxazolidin-3-ium] has a molecular weight of 346.58 g/mol, XLogP of 4.49, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2',2',10,13-tetramethylspiro[1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-17,5'-1,3-oxazolidin-3-ium] is sourced from PubChem (CID 4048139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).