8-butyl-1,3-dimethylbicyclo[7.1.0]decane

C16H30 — CID 91015079

IUPAC8-butyl-1,3-dimethylbicyclo[7.1.0]decane
SMILESCCCCC1CCCCC(C)CC2(C)CC12
InChIInChI=1S/C16H30/c1-4-5-9-14-10-7-6-8-13(2)11-16(3)12-15(14)16/h13-15H,4-12H2,1-3H3
InChIKeyRQFCCSAAADHXIL-UHFFFAOYSA-N
MW222.42 g/mol
LogP5.42
Rot. Bonds3

About 8-butyl-1,3-dimethylbicyclo[7.1.0]decane

8-butyl-1,3-dimethylbicyclo[7.1.0]decane (PubChem CID 91015079) has the molecular formula C16H30 and a molecular weight of 222.42 g/mol. Its IUPAC name is 8-butyl-1,3-dimethylbicyclo[7.1.0]decane.

Molecular Properties

Compound Name8-butyl-1,3-dimethylbicyclo[7.1.0]decane
PubChem CID91015079
Molecular FormulaC16H30
Molecular Weight222.42 g/mol
Exact Mass222.23
IUPAC Name8-butyl-1,3-dimethylbicyclo[7.1.0]decane
SMILESCCCCC1CCCCC(C)CC2(C)CC12
InChIInChI=1S/C16H30/c1-4-5-9-14-10-7-6-8-13(2)11-16(3)12-15(14)16/h13-15H,4-12H2,1-3H3
InChIKeyRQFCCSAAADHXIL-UHFFFAOYSA-N
XLogP5.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500222.42
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 8-butyl-1,3-dimethylbicyclo[7.1.0]decane?
The IUPAC name of 8-butyl-1,3-dimethylbicyclo[7.1.0]decane (CID 91015079) is 8-butyl-1,3-dimethylbicyclo[7.1.0]decane.
What is the SMILES notation for 8-butyl-1,3-dimethylbicyclo[7.1.0]decane?
The canonical SMILES for 8-butyl-1,3-dimethylbicyclo[7.1.0]decane is CCCCC1CCCCC(C)CC2(C)CC12.
What is the InChIKey of 8-butyl-1,3-dimethylbicyclo[7.1.0]decane?
The InChIKey is RQFCCSAAADHXIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30/c1-4-5-9-14-10-7-6-8-13(2)11-16(3)12-15(14)16/h13-15H,4-12H2,1-3H3.
What are the key properties of 8-butyl-1,3-dimethylbicyclo[7.1.0]decane?
8-butyl-1,3-dimethylbicyclo[7.1.0]decane has a molecular weight of 222.42 g/mol, XLogP of 5.42, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8-butyl-1,3-dimethylbicyclo[7.1.0]decane is sourced from PubChem (CID 91015079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).