CID 58356492

C16H22O2 — CID 58356492

IUPAC—
SMILES[CH][C@@]1(C)C(=O)CC[C@@H]2[C@@H]1CC[C@]1(C)C(=O)CC[C@@H]21
InChIInChI=1S/C16H22O2/c1-15(2)11-8-9-16(3)12(5-7-14(16)18)10(11)4-6-13(15)17/h1,10-12H,4-9H2,2-3H3/t10-,11+,12+,15+,16+/m1/s1
InChIKeySJLJGSKRLIHJBX-BFPXCNAZSA-N
MW246.35 g/mol
LogP3.08
Rot. Bonds

About CID 58356492

CID 58356492 (PubChem CID 58356492) has the molecular formula C16H22O2 and a molecular weight of 246.35 g/mol.

Molecular Properties

Compound NameCID 58356492
PubChem CID58356492
Molecular FormulaC16H22O2
Molecular Weight246.35 g/mol
Exact Mass246.16
IUPAC Name—
SMILES[CH][C@@]1(C)C(=O)CC[C@@H]2[C@@H]1CC[C@]1(C)C(=O)CC[C@@H]21
InChIInChI=1S/C16H22O2/c1-15(2)11-8-9-16(3)12(5-7-14(16)18)10(11)4-6-13(15)17/h1,10-12H,4-9H2,2-3H3/t10-,11+,12+,15+,16+/m1/s1
InChIKeySJLJGSKRLIHJBX-BFPXCNAZSA-N
XLogP3.08
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(8S,9R,10R,13S,14S)-10,13-dimethyl-3,6,7,8,9,11,12,14,15,16-decahydro-2H-cyclopenta[a]phenanthrene-1,17-dione
CID 70591357
(8R,9S,13S,14S)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione
CID 12502771
(8S,10S,13R)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione
CID 144685562
(3R,8R,10R,13S,14S)-3-amino-10,13-dimethyl-1,2,3,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one
CID 148678757
5,10,13-trimethyl-1,2,4,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-dione
CID 2748270
(3S,8R,9R,10R,13R,14S)-3-hydroxy-10,13-dimethyl-1,2,3,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one
CID 7107315
(8R,9S,10S,13S,14S)-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-dione
CID 12882269
(1R,2S,5S,7R,8S,11S,12R,16R)-2,16-dimethyl-6-oxapentacyclo[9.7.0.02,8.05,7.012,16]octadecan-15-one
CID 90350213
(5S,8R,9S,10S,13S,14S)-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one
CID 7060918
(8R,9S,10R,13S,14S)-4,4,10,13-tetramethyl-2,3,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-one
CID 141235300
(6aS,9aS,9bS)-6a-methyl-2,4a,5,6,8,9,9a,9b-octahydro-1H-cyclopenta[f]chromene-3,7-dione
CID 129079988
(1E,8R,9S,10R,13S,14S)-1-(fluoromethylidene)-10,13-dimethyl-3,6,7,8,9,11,12,14,15,16-decahydro-2H-cyclopenta[a]phenanthren-17-one
CID 70362974

Frequently Asked Questions

What is the IUPAC name of CID 58356492?
The IUPAC name of CID 58356492 (CID 58356492) is not available.
What is the SMILES notation for CID 58356492?
The canonical SMILES for CID 58356492 is [CH][C@@]1(C)C(=O)CC[C@@H]2[C@@H]1CC[C@]1(C)C(=O)CC[C@@H]21.
What is the InChIKey of CID 58356492?
The InChIKey is SJLJGSKRLIHJBX-BFPXCNAZSA-N. The full InChI is InChI=1S/C16H22O2/c1-15(2)11-8-9-16(3)12(5-7-14(16)18)10(11)4-6-13(15)17/h1,10-12H,4-9H2,2-3H3/t10-,11+,12+,15+,16+/m1/s1.
What are the key properties of CID 58356492?
CID 58356492 has a molecular weight of 246.35 g/mol, XLogP of 3.08, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58356492 is sourced from PubChem (CID 58356492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).