6,6-dimethylcyclohepta[b]selenophene;ethane

C13H18Se — CID 166550164

IUPAC6,6-dimethylcyclohepta[b]selenophene;ethane
SMILESCC.CC1(C)C=Cc2cc[se]c2C=C1
InChIInChI=1S/C11H12Se.C2H6/c1-11(2)6-3-9-5-8-12-10(9)4-7-11;1-2/h3-8H,1-2H3;1-2H3
InChIKeySKERRBDLUPTEAN-UHFFFAOYSA-N
MW253.25 g/mol
LogP3.84
Rot. Bonds

About 6,6-dimethylcyclohepta[b]selenophene;ethane

6,6-dimethylcyclohepta[b]selenophene;ethane (PubChem CID 166550164) has the molecular formula C13H18Se and a molecular weight of 253.25 g/mol. Its IUPAC name is 6,6-dimethylcyclohepta[b]selenophene;ethane.

Molecular Properties

Compound Name6,6-dimethylcyclohepta[b]selenophene;ethane
PubChem CID166550164
Molecular FormulaC13H18Se
Molecular Weight253.25 g/mol
Exact Mass254.06
IUPAC Name6,6-dimethylcyclohepta[b]selenophene;ethane
SMILESCC.CC1(C)C=Cc2cc[se]c2C=C1
InChIInChI=1S/C11H12Se.C2H6/c1-11(2)6-3-9-5-8-12-10(9)4-7-11;1-2/h3-8H,1-2H3;1-2H3
InChIKeySKERRBDLUPTEAN-UHFFFAOYSA-N
XLogP3.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.25
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

Dimethylselenophene
CID 60101654
2,4-Ditert-butylselenophene
CID 11831629
2,4-Dimethylselenophene
CID 59390251
2-[(1E)-3-methylbuta-1,3-dienyl]-3-prop-1-en-2-ylselenophene
CID 135041889
2,3,5-Trimethylselenophene
CID 14660589
trimethyl-(2-trimethylstannyl-4H-cyclopenta[b]selenophen-5-yl)stannane
CID 57952945
2,3-Di(propan-2-yl)selenophene
CID 140695830
2,3-Dimethylselenophene;ethane
CID 142967412
7-Methyl-1,4-dihydrocyclohepta[b]phosphole
CID 143779610
2-Ethenyl-3,4-dimethylselenophene
CID 152762273
2-Tert-butyl-3-hexylselenophene
CID 154612950
2-Tert-butyl-4-hexylselenophene
CID 154612984

Frequently Asked Questions

What is the IUPAC name of 6,6-dimethylcyclohepta[b]selenophene;ethane?
The IUPAC name of 6,6-dimethylcyclohepta[b]selenophene;ethane (CID 166550164) is 6,6-dimethylcyclohepta[b]selenophene;ethane.
What is the SMILES notation for 6,6-dimethylcyclohepta[b]selenophene;ethane?
The canonical SMILES for 6,6-dimethylcyclohepta[b]selenophene;ethane is CC.CC1(C)C=Cc2cc[se]c2C=C1.
What is the InChIKey of 6,6-dimethylcyclohepta[b]selenophene;ethane?
The InChIKey is SKERRBDLUPTEAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Se.C2H6/c1-11(2)6-3-9-5-8-12-10(9)4-7-11;1-2/h3-8H,1-2H3;1-2H3.
What are the key properties of 6,6-dimethylcyclohepta[b]selenophene;ethane?
6,6-dimethylcyclohepta[b]selenophene;ethane has a molecular weight of 253.25 g/mol, XLogP of 3.84, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethylcyclohepta[b]selenophene;ethane is sourced from PubChem (CID 166550164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).