2,4-dimethyl-2-propylbicyclo[1.1.0]butane

C9H16 — CID 91359632

IUPAC2,4-dimethyl-2-propylbicyclo[1.1.0]butane
SMILESCCCC1(C)C2C(C)C21
InChIInChI=1S/C9H16/c1-4-5-9(3)7-6(2)8(7)9/h6-8H,4-5H2,1-3H3
InChIKeyYTZONSPOZZHMNM-UHFFFAOYSA-N
MW124.23 g/mol
LogP2.69
Rot. Bonds2

About 2,4-dimethyl-2-propylbicyclo[1.1.0]butane

2,4-dimethyl-2-propylbicyclo[1.1.0]butane (PubChem CID 91359632) has the molecular formula C9H16 and a molecular weight of 124.23 g/mol. Its IUPAC name is 2,4-dimethyl-2-propylbicyclo[1.1.0]butane.

Molecular Properties

Compound Name2,4-dimethyl-2-propylbicyclo[1.1.0]butane
PubChem CID91359632
Molecular FormulaC9H16
Molecular Weight124.23 g/mol
Exact Mass124.13
IUPAC Name2,4-dimethyl-2-propylbicyclo[1.1.0]butane
SMILESCCCC1(C)C2C(C)C21
InChIInChI=1S/C9H16/c1-4-5-9(3)7-6(2)8(7)9/h6-8H,4-5H2,1-3H3
InChIKeyYTZONSPOZZHMNM-UHFFFAOYSA-N
XLogP2.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.23
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-2-propylbicyclo[1.1.0]butane?
The IUPAC name of 2,4-dimethyl-2-propylbicyclo[1.1.0]butane (CID 91359632) is 2,4-dimethyl-2-propylbicyclo[1.1.0]butane.
What is the SMILES notation for 2,4-dimethyl-2-propylbicyclo[1.1.0]butane?
The canonical SMILES for 2,4-dimethyl-2-propylbicyclo[1.1.0]butane is CCCC1(C)C2C(C)C21.
What is the InChIKey of 2,4-dimethyl-2-propylbicyclo[1.1.0]butane?
The InChIKey is YTZONSPOZZHMNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16/c1-4-5-9(3)7-6(2)8(7)9/h6-8H,4-5H2,1-3H3.
What are the key properties of 2,4-dimethyl-2-propylbicyclo[1.1.0]butane?
2,4-dimethyl-2-propylbicyclo[1.1.0]butane has a molecular weight of 124.23 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-2-propylbicyclo[1.1.0]butane is sourced from PubChem (CID 91359632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).