CID 164708102

C19H26O2 — CID 164708102

IUPAC—
SMILES[CH][C@]12CC[C@H]3[C@@H](CC[C@@H]4CC(=O)CC[C@@H]43)[C@@H]1CCCC2=O
InChIInChI=1S/C19H26O2/c1-19-10-9-15-14-8-6-13(20)11-12(14)5-7-16(15)17(19)3-2-4-18(19)21/h1,12,14-17H,2-11H2/t12-,14+,15-,16-,17+,19+/m1/s1
InChIKeyRDZWACCAJADFJB-FWXJYBMHSA-N
MW286.41 g/mol
LogP3.86
Rot. Bonds

About CID 164708102

CID 164708102 (PubChem CID 164708102) has the molecular formula C19H26O2 and a molecular weight of 286.41 g/mol.

Molecular Properties

Compound NameCID 164708102
PubChem CID164708102
Molecular FormulaC19H26O2
Molecular Weight286.41 g/mol
Exact Mass286.19
IUPAC Name—
SMILES[CH][C@]12CC[C@H]3[C@@H](CC[C@@H]4CC(=O)CC[C@@H]43)[C@@H]1CCCC2=O
InChIInChI=1S/C19H26O2/c1-19-10-9-15-14-8-6-13(20)11-12(14)5-7-16(15)17(19)3-2-4-18(19)21/h1,12,14-17H,2-11H2/t12-,14+,15-,16-,17+,19+/m1/s1
InChIKeyRDZWACCAJADFJB-FWXJYBMHSA-N
XLogP3.86
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.41
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

CID 164708089
CID 164708089
(5S)-13-methyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-one
CID 45043693
(8R,9R,10S,13S)-13-methyl-1,2,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-3,17-dione
CID 145130066
(1R,2S,8R,11R,12S,16S)-16-methyltetracyclo[9.7.0.02,8.012,16]octadecane-6,15-dione
CID 166042235
(8R,9R,10S,13S)-13-methyl-1,2,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-3,17-dione;molecular hydrogen
CID 145130065
2,4,5,6,7,8,9,10,11,12,13,14,15,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,16-dione
CID 90303644
(5S,9R,14R)-1,2,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydrocyclopenta[a]phenanthren-3-one
CID 118900391
(5S,8R,9R,10S,13R,14S,17S)-13,17-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-one
CID 54770094
(5S,8S,9R,10R,13S,14S,17R)-17-hydroxy-13-methyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-one
CID 124911649
(8R,9R,10S,13S,14S,17S)-17-hydroxy-13-methyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-one
CID 18647774
(9aR,9bS)-1,2,3,3a,4,5,5a,6,8,9,9a,9b-dodecahydrocyclopenta[a]naphthalen-7-one
CID 67931978
8,12a-dimethyl-2,3,4,4a,4b,5,6,6a,7,8,9,10,10a,10b,11,12-hexadecahydrochrysen-1-one
CID 163383803

Frequently Asked Questions

What is the IUPAC name of CID 164708102?
The IUPAC name of CID 164708102 (CID 164708102) is not available.
What is the SMILES notation for CID 164708102?
The canonical SMILES for CID 164708102 is [CH][C@]12CC[C@H]3[C@@H](CC[C@@H]4CC(=O)CC[C@@H]43)[C@@H]1CCCC2=O.
What is the InChIKey of CID 164708102?
The InChIKey is RDZWACCAJADFJB-FWXJYBMHSA-N. The full InChI is InChI=1S/C19H26O2/c1-19-10-9-15-14-8-6-13(20)11-12(14)5-7-16(15)17(19)3-2-4-18(19)21/h1,12,14-17H,2-11H2/t12-,14+,15-,16-,17+,19+/m1/s1.
What are the key properties of CID 164708102?
CID 164708102 has a molecular weight of 286.41 g/mol, XLogP of 3.86, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 164708102 is sourced from PubChem (CID 164708102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).