1-(2,3-dimethylbutyl)-2-propylbicyclo[2.2.0]hexane

C15H28 — CID 123988912

IUPAC1-(2,3-dimethylbutyl)-2-propylbicyclo[2.2.0]hexane
SMILESCCCC1CC2CCC12CC(C)C(C)C
InChIInChI=1S/C15H28/c1-5-6-13-9-14-7-8-15(13,14)10-12(4)11(2)3/h11-14H,5-10H2,1-4H3
InChIKeyWPNWAHKACLQUAR-UHFFFAOYSA-N
MW208.39 g/mol
LogP4.89
Rot. Bonds5

About 1-(2,3-dimethylbutyl)-2-propylbicyclo[2.2.0]hexane

1-(2,3-dimethylbutyl)-2-propylbicyclo[2.2.0]hexane (PubChem CID 123988912) has the molecular formula C15H28 and a molecular weight of 208.39 g/mol. Its IUPAC name is 1-(2,3-dimethylbutyl)-2-propylbicyclo[2.2.0]hexane.

Molecular Properties

Compound Name1-(2,3-dimethylbutyl)-2-propylbicyclo[2.2.0]hexane
PubChem CID123988912
Molecular FormulaC15H28
Molecular Weight208.39 g/mol
Exact Mass208.22
IUPAC Name1-(2,3-dimethylbutyl)-2-propylbicyclo[2.2.0]hexane
SMILESCCCC1CC2CCC12CC(C)C(C)C
InChIInChI=1S/C15H28/c1-5-6-13-9-14-7-8-15(13,14)10-12(4)11(2)3/h11-14H,5-10H2,1-4H3
InChIKeyWPNWAHKACLQUAR-UHFFFAOYSA-N
XLogP4.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.39
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylbutyl)-2-propylbicyclo[2.2.0]hexane?
The IUPAC name of 1-(2,3-dimethylbutyl)-2-propylbicyclo[2.2.0]hexane (CID 123988912) is 1-(2,3-dimethylbutyl)-2-propylbicyclo[2.2.0]hexane.
What is the SMILES notation for 1-(2,3-dimethylbutyl)-2-propylbicyclo[2.2.0]hexane?
The canonical SMILES for 1-(2,3-dimethylbutyl)-2-propylbicyclo[2.2.0]hexane is CCCC1CC2CCC12CC(C)C(C)C.
What is the InChIKey of 1-(2,3-dimethylbutyl)-2-propylbicyclo[2.2.0]hexane?
The InChIKey is WPNWAHKACLQUAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28/c1-5-6-13-9-14-7-8-15(13,14)10-12(4)11(2)3/h11-14H,5-10H2,1-4H3.
What are the key properties of 1-(2,3-dimethylbutyl)-2-propylbicyclo[2.2.0]hexane?
1-(2,3-dimethylbutyl)-2-propylbicyclo[2.2.0]hexane has a molecular weight of 208.39 g/mol, XLogP of 4.89, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylbutyl)-2-propylbicyclo[2.2.0]hexane is sourced from PubChem (CID 123988912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).