3-chloro-10,10-dimethyl-3-phenyl-4-oxa-3lambda4-selenatricyclo[5.2.1.01,5]decane

C16H21ClOSe — CID 15201166

IUPAC3-chloro-10,10-dimethyl-3-phenyl-4-oxa-3lambda4-selenatricyclo[5.2.1.01,5]decane
SMILESCC1(C)C2CCC13C[Se](Cl)(c1ccccc1)OC3C2
InChIInChI=1S/C16H21ClOSe/c1-15(2)12-8-9-16(15)11-19(17,18-14(16)10-12)13-6-4-3-5-7-13/h3-7,12,14H,8-11H2,1-2H3
InChIKeyQWLIGONOTNFSAS-UHFFFAOYSA-N
MW343.76 g/mol
LogP3.80
Rot. Bonds1

About 3-chloro-10,10-dimethyl-3-phenyl-4-oxa-3lambda4-selenatricyclo[5.2.1.01,5]decane

3-chloro-10,10-dimethyl-3-phenyl-4-oxa-3lambda4-selenatricyclo[5.2.1.01,5]decane (PubChem CID 15201166) has the molecular formula C16H21ClOSe and a molecular weight of 343.76 g/mol. Its IUPAC name is 3-chloro-10,10-dimethyl-3-phenyl-4-oxa-3lambda4-selenatricyclo[5.2.1.01,5]decane.

Molecular Properties

Compound Name3-chloro-10,10-dimethyl-3-phenyl-4-oxa-3lambda4-selenatricyclo[5.2.1.01,5]decane
PubChem CID15201166
Molecular FormulaC16H21ClOSe
Molecular Weight343.76 g/mol
Exact Mass344.04
IUPAC Name3-chloro-10,10-dimethyl-3-phenyl-4-oxa-3lambda4-selenatricyclo[5.2.1.01,5]decane
SMILESCC1(C)C2CCC13C[Se](Cl)(c1ccccc1)OC3C2
InChIInChI=1S/C16H21ClOSe/c1-15(2)12-8-9-16(15)11-19(17,18-14(16)10-12)13-6-4-3-5-7-13/h3-7,12,14H,8-11H2,1-2H3
InChIKeyQWLIGONOTNFSAS-UHFFFAOYSA-N
XLogP3.80
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.76
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-chloro-10,10-dimethyl-3-phenyl-4-oxa-3lambda4-selenatricyclo[5.2.1.01,5]decane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-chloro-10,10-dimethyl-3-phenyl-4-oxa-3lambda4-selenatricyclo[5.2.1.01,5]decane?
The IUPAC name of 3-chloro-10,10-dimethyl-3-phenyl-4-oxa-3lambda4-selenatricyclo[5.2.1.01,5]decane (CID 15201166) is 3-chloro-10,10-dimethyl-3-phenyl-4-oxa-3lambda4-selenatricyclo[5.2.1.01,5]decane.
What is the SMILES notation for 3-chloro-10,10-dimethyl-3-phenyl-4-oxa-3lambda4-selenatricyclo[5.2.1.01,5]decane?
The canonical SMILES for 3-chloro-10,10-dimethyl-3-phenyl-4-oxa-3lambda4-selenatricyclo[5.2.1.01,5]decane is CC1(C)C2CCC13C[Se](Cl)(c1ccccc1)OC3C2.
What is the InChIKey of 3-chloro-10,10-dimethyl-3-phenyl-4-oxa-3lambda4-selenatricyclo[5.2.1.01,5]decane?
The InChIKey is QWLIGONOTNFSAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClOSe/c1-15(2)12-8-9-16(15)11-19(17,18-14(16)10-12)13-6-4-3-5-7-13/h3-7,12,14H,8-11H2,1-2H3.
What are the key properties of 3-chloro-10,10-dimethyl-3-phenyl-4-oxa-3lambda4-selenatricyclo[5.2.1.01,5]decane?
3-chloro-10,10-dimethyl-3-phenyl-4-oxa-3lambda4-selenatricyclo[5.2.1.01,5]decane has a molecular weight of 343.76 g/mol, XLogP of 3.80, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-10,10-dimethyl-3-phenyl-4-oxa-3lambda4-selenatricyclo[5.2.1.01,5]decane is sourced from PubChem (CID 15201166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).