1-ethyl-5,5,9-trimethylbicyclo[7.1.0]decane

C15H28 — CID 123501115

IUPAC1-ethyl-5,5,9-trimethylbicyclo[7.1.0]decane
SMILESCCC12CCCC(C)(C)CCCC1(C)C2
InChIInChI=1S/C15H28/c1-5-15-11-7-9-13(2,3)8-6-10-14(15,4)12-15/h5-12H2,1-4H3
InChIKeyFKFDHSYYYXICSD-UHFFFAOYSA-N
MW208.39 g/mol
LogP5.17
Rot. Bonds1

About 1-ethyl-5,5,9-trimethylbicyclo[7.1.0]decane

1-ethyl-5,5,9-trimethylbicyclo[7.1.0]decane (PubChem CID 123501115) has the molecular formula C15H28 and a molecular weight of 208.39 g/mol. Its IUPAC name is 1-ethyl-5,5,9-trimethylbicyclo[7.1.0]decane.

Molecular Properties

Compound Name1-ethyl-5,5,9-trimethylbicyclo[7.1.0]decane
PubChem CID123501115
Molecular FormulaC15H28
Molecular Weight208.39 g/mol
Exact Mass208.22
IUPAC Name1-ethyl-5,5,9-trimethylbicyclo[7.1.0]decane
SMILESCCC12CCCC(C)(C)CCCC1(C)C2
InChIInChI=1S/C15H28/c1-5-15-11-7-9-13(2,3)8-6-10-14(15,4)12-15/h5-12H2,1-4H3
InChIKeyFKFDHSYYYXICSD-UHFFFAOYSA-N
XLogP5.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500208.39
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5,5,9-trimethylbicyclo[7.1.0]decane?
The IUPAC name of 1-ethyl-5,5,9-trimethylbicyclo[7.1.0]decane (CID 123501115) is 1-ethyl-5,5,9-trimethylbicyclo[7.1.0]decane.
What is the SMILES notation for 1-ethyl-5,5,9-trimethylbicyclo[7.1.0]decane?
The canonical SMILES for 1-ethyl-5,5,9-trimethylbicyclo[7.1.0]decane is CCC12CCCC(C)(C)CCCC1(C)C2.
What is the InChIKey of 1-ethyl-5,5,9-trimethylbicyclo[7.1.0]decane?
The InChIKey is FKFDHSYYYXICSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28/c1-5-15-11-7-9-13(2,3)8-6-10-14(15,4)12-15/h5-12H2,1-4H3.
What are the key properties of 1-ethyl-5,5,9-trimethylbicyclo[7.1.0]decane?
1-ethyl-5,5,9-trimethylbicyclo[7.1.0]decane has a molecular weight of 208.39 g/mol, XLogP of 5.17, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5,5,9-trimethylbicyclo[7.1.0]decane is sourced from PubChem (CID 123501115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).