CID 134884167

C20H26ClOSe — CID 134884167

IUPAC—
SMILES[CH][Se]1(Cl)(C/C=C/c2ccccc2)CC23CCC(CC2O1)C3(C)C
InChIInChI=1S/C20H26ClOSe/c1-19(2)17-11-12-20(19)15-23(3,21,22-18(20)14-17)13-7-10-16-8-5-4-6-9-16/h3-10,17-18H,11-15H2,1-2H3/b10-7+
InChIKeyNGAJUIXEHGEEDS-JXMROGBWSA-N
MW396.84 g/mol
LogP5.81
Rot. Bonds3

About CID 134884167

CID 134884167 (PubChem CID 134884167) has the molecular formula C20H26ClOSe and a molecular weight of 396.84 g/mol.

Molecular Properties

Compound NameCID 134884167
PubChem CID134884167
Molecular FormulaC20H26ClOSe
Molecular Weight396.84 g/mol
Exact Mass397.08
IUPAC Name—
SMILES[CH][Se]1(Cl)(C/C=C/c2ccccc2)CC23CCC(CC2O1)C3(C)C
InChIInChI=1S/C20H26ClOSe/c1-19(2)17-11-12-20(19)15-23(3,21,22-18(20)14-17)13-7-10-16-8-5-4-6-9-16/h3-10,17-18H,11-15H2,1-2H3/b10-7+
InChIKeyNGAJUIXEHGEEDS-JXMROGBWSA-N
XLogP5.81
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.84
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

7,7-Dimethyl-1-[[4-(trifluoromethyl)phenyl]selanylmethyl]bicyclo[2.2.1]heptan-2-ol
CID 139266184
3-Chloro-10,10-dimethyl-3-[4-(trifluoromethyl)phenyl]-4-oxa-3lambda4-selenatricyclo[5.2.1.01,5]decane
CID 139266189
3-Bromo-10,10-dimethyl-3-[4-(trifluoromethyl)phenyl]-4-oxa-3lambda4-selenatricyclo[5.2.1.01,5]decane
CID 139266191
(10,10-Dimethyl-3-phenyl-4-oxa-3lambda4-selenatricyclo[5.2.1.01,5]decan-3-yl) trifluoromethanesulfonate
CID 139266200
[10,10-Dimethyl-3-[4-(trifluoromethyl)phenyl]-4-oxa-3lambda4-selenatricyclo[5.2.1.01,5]decan-3-yl] trifluoromethanesulfonate
CID 139266201
Borneol, benzyldimethylsilyl ether
CID 91697336
(1S,2R,4R)-7,7-dimethyl-1-(phenylseleninylmethyl)bicyclo[2.2.1]heptan-2-ol
CID 10087669
(1S,2R,4R)-7,7-dimethyl-1-(phenylselanylmethyl)bicyclo[2.2.1]heptan-2-ol
CID 10425427
butyl-[[(1S,2R,4R)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]methyl]-phenyltellanium chloride
CID 10599664
[(1S,2R,4R)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]methyl-methyl-phenyltellanium chloride
CID 10621427
ethyl-[[(1S,2R,4R)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]methyl]-phenylselanium chloride
CID 10883257
(1S,3R,5R,7R)-3-bromo-10,10-dimethyl-3-phenyl-4-oxa-3lambda4-telluratricyclo[5.2.1.01,5]decane
CID 10939038

Frequently Asked Questions

What is the IUPAC name of CID 134884167?
The IUPAC name of CID 134884167 (CID 134884167) is not available.
What is the SMILES notation for CID 134884167?
The canonical SMILES for CID 134884167 is [CH][Se]1(Cl)(C/C=C/c2ccccc2)CC23CCC(CC2O1)C3(C)C.
What is the InChIKey of CID 134884167?
The InChIKey is NGAJUIXEHGEEDS-JXMROGBWSA-N. The full InChI is InChI=1S/C20H26ClOSe/c1-19(2)17-11-12-20(19)15-23(3,21,22-18(20)14-17)13-7-10-16-8-5-4-6-9-16/h3-10,17-18H,11-15H2,1-2H3/b10-7+.
What are the key properties of CID 134884167?
CID 134884167 has a molecular weight of 396.84 g/mol, XLogP of 5.81, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134884167 is sourced from PubChem (CID 134884167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).