CID 166130493

C22H32FO — CID 166130493

IUPAC—
SMILESC=C[CH]C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)C[C@H]1F
InChIInChI=1S/C22H32FO/c1-4-5-14-12-15-6-7-16-17-8-9-20(24)21(17,2)11-10-18(16)22(15,3)13-19(14)23/h4-5,14-19H,1,6-13H2,2-3H3/t14?,15-,16-,17-,18-,19+,21-,22-/m0/s1
InChIKeyAMDOYPBUDSZIQG-CVFJWSCCSA-N
MW331.50 g/mol
LogP5.55
Rot. Bonds2

About CID 166130493

CID 166130493 (PubChem CID 166130493) has the molecular formula C22H32FO and a molecular weight of 331.50 g/mol.

Molecular Properties

Compound NameCID 166130493
PubChem CID166130493
Molecular FormulaC22H32FO
Molecular Weight331.50 g/mol
Exact Mass331.24
IUPAC Name—
SMILESC=C[CH]C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)C[C@H]1F
InChIInChI=1S/C22H32FO/c1-4-5-14-12-15-6-7-16-17-8-9-20(24)21(17,2)11-10-18(16)22(15,3)13-19(14)23/h4-5,14-19H,1,6-13H2,2-3H3/t14?,15-,16-,17-,18-,19+,21-,22-/m0/s1
InChIKeyAMDOYPBUDSZIQG-CVFJWSCCSA-N
XLogP5.55
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.50
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2S,3S,5S,8R,9S,10S,13S,14S)-2,3-bis(ethenyl)-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one
CID 67650270
(2S,3R,5S,8R,9S,10S,13S,14S)-2-ethenyl-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one
CID 67649435
(3R,5S)-3-fluoro-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one
CID 45043834
(1S,2S,8S,11R,12S,16S)-2,16-dimethyl-5-thiapentacyclo[9.7.0.02,8.04,6.012,16]octadecan-15-one
CID 151936429
(3S,10S,13S)-3,10,13-trimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one
CID 122644558
3-ethenyl-3-hydroxy-10,13-dimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-one
CID 4642682
(3S,5S,8R,9R,10S,13S,14R)-3-ethenyl-3-hydroxy-10,13-dimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-one
CID 124916503
[(3R,5R,8R,9S,10S,13S,14S)-10,13-dimethyl-17-oxo-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl] formate
CID 101282088
2,16-dimethyl-15-oxopentacyclo[9.7.0.02,8.04,6.012,16]octadecane-5-carboxylic acid
CID 4121542
(3S,5S,10S,13S)-3-chloro-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one
CID 6708555
(3R,5R,10R,13R)-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one
CID 164643675
(8R,9S,10S,13S,14S)-3-bromo-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one
CID 69103388

Frequently Asked Questions

What is the IUPAC name of CID 166130493?
The IUPAC name of CID 166130493 (CID 166130493) is not available.
What is the SMILES notation for CID 166130493?
The canonical SMILES for CID 166130493 is C=C[CH]C1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)C[C@H]1F.
What is the InChIKey of CID 166130493?
The InChIKey is AMDOYPBUDSZIQG-CVFJWSCCSA-N. The full InChI is InChI=1S/C22H32FO/c1-4-5-14-12-15-6-7-16-17-8-9-20(24)21(17,2)11-10-18(16)22(15,3)13-19(14)23/h4-5,14-19H,1,6-13H2,2-3H3/t14?,15-,16-,17-,18-,19+,21-,22-/m0/s1.
What are the key properties of CID 166130493?
CID 166130493 has a molecular weight of 331.50 g/mol, XLogP of 5.55, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 166130493 is sourced from PubChem (CID 166130493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).