ethyl-[[(1S,2R,4R)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]methyl]-phenylselanium chloride

C18H27ClOSe — CID 10883257

IUPACethyl-[[(1S,2R,4R)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]methyl]-phenylselanium chloride
SMILESCC[Se+](C[C@]12CC[C@H](C[C@H]1O)C2(C)C)c1ccccc1.[Cl-]
InChIInChI=1S/C18H27OSe.ClH/c1-4-20(15-8-6-5-7-9-15)13-18-11-10-14(12-16(18)19)17(18,2)3;/h5-9,14,16,19H,4,10-13H2,1-3H3;1H/q+1;/p-1/t14-,16-,18-,20?;/m1./s1
InChIKeyBFHMVQMORNBHOU-YXRSBEMPSA-M
MW373.83 g/mol
LogP0.60
Rot. Bonds4

About ethyl-[[(1S,2R,4R)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]methyl]-phenylselanium chloride

ethyl-[[(1S,2R,4R)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]methyl]-phenylselanium chloride (PubChem CID 10883257) has the molecular formula C18H27ClOSe and a molecular weight of 373.83 g/mol. Its IUPAC name is ethyl-[[(1S,2R,4R)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]methyl]-phenylselanium chloride.

Molecular Properties

Compound Nameethyl-[[(1S,2R,4R)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]methyl]-phenylselanium chloride
PubChem CID10883257
Molecular FormulaC18H27ClOSe
Molecular Weight373.83 g/mol
Exact Mass374.09
IUPAC Nameethyl-[[(1S,2R,4R)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]methyl]-phenylselanium chloride
SMILESCC[Se+](C[C@]12CC[C@H](C[C@H]1O)C2(C)C)c1ccccc1.[Cl-]
InChIInChI=1S/C18H27OSe.ClH/c1-4-20(15-8-6-5-7-9-15)13-18-11-10-14(12-16(18)19)17(18,2)3;/h5-9,14,16,19H,4,10-13H2,1-3H3;1H/q+1;/p-1/t14-,16-,18-,20?;/m1./s1
InChIKeyBFHMVQMORNBHOU-YXRSBEMPSA-M
XLogP0.60
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.83
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl-[[(1S,2R,4R)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]methyl]-phenylselanium chloride?
The IUPAC name of ethyl-[[(1S,2R,4R)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]methyl]-phenylselanium chloride (CID 10883257) is ethyl-[[(1S,2R,4R)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]methyl]-phenylselanium chloride.
What is the SMILES notation for ethyl-[[(1S,2R,4R)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]methyl]-phenylselanium chloride?
The canonical SMILES for ethyl-[[(1S,2R,4R)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]methyl]-phenylselanium chloride is CC[Se+](C[C@]12CC[C@H](C[C@H]1O)C2(C)C)c1ccccc1.[Cl-].
What is the InChIKey of ethyl-[[(1S,2R,4R)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]methyl]-phenylselanium chloride?
The InChIKey is BFHMVQMORNBHOU-YXRSBEMPSA-M. The full InChI is InChI=1S/C18H27OSe.ClH/c1-4-20(15-8-6-5-7-9-15)13-18-11-10-14(12-16(18)19)17(18,2)3;/h5-9,14,16,19H,4,10-13H2,1-3H3;1H/q+1;/p-1/t14-,16-,18-,20?;/m1./s1.
What are the key properties of ethyl-[[(1S,2R,4R)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]methyl]-phenylselanium chloride?
ethyl-[[(1S,2R,4R)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]methyl]-phenylselanium chloride has a molecular weight of 373.83 g/mol, XLogP of 0.60, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-[[(1S,2R,4R)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]methyl]-phenylselanium chloride is sourced from PubChem (CID 10883257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).