1-(2,3-dimethylbut-3-enyl)-1,2,3-trimethylcyclobutane

C13H24 — CID 123343186

IUPAC1-(2,3-dimethylbut-3-enyl)-1,2,3-trimethylcyclobutane
SMILESC=C(C)C(C)CC1(C)CC(C)C1C
InChIInChI=1S/C13H24/c1-9(2)10(3)7-13(6)8-11(4)12(13)5/h10-12H,1,7-8H2,2-6H3
InChIKeyQKPWMCCUNVSAIQ-UHFFFAOYSA-N
MW180.33 g/mol
LogP4.27
Rot. Bonds3

About 1-(2,3-dimethylbut-3-enyl)-1,2,3-trimethylcyclobutane

1-(2,3-dimethylbut-3-enyl)-1,2,3-trimethylcyclobutane (PubChem CID 123343186) has the molecular formula C13H24 and a molecular weight of 180.33 g/mol. Its IUPAC name is 1-(2,3-dimethylbut-3-enyl)-1,2,3-trimethylcyclobutane.

Molecular Properties

Compound Name1-(2,3-dimethylbut-3-enyl)-1,2,3-trimethylcyclobutane
PubChem CID123343186
Molecular FormulaC13H24
Molecular Weight180.33 g/mol
Exact Mass180.19
IUPAC Name1-(2,3-dimethylbut-3-enyl)-1,2,3-trimethylcyclobutane
SMILESC=C(C)C(C)CC1(C)CC(C)C1C
InChIInChI=1S/C13H24/c1-9(2)10(3)7-13(6)8-11(4)12(13)5/h10-12H,1,7-8H2,2-6H3
InChIKeyQKPWMCCUNVSAIQ-UHFFFAOYSA-N
XLogP4.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.33
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylbut-3-enyl)-1,2,3-trimethylcyclobutane?
The IUPAC name of 1-(2,3-dimethylbut-3-enyl)-1,2,3-trimethylcyclobutane (CID 123343186) is 1-(2,3-dimethylbut-3-enyl)-1,2,3-trimethylcyclobutane.
What is the SMILES notation for 1-(2,3-dimethylbut-3-enyl)-1,2,3-trimethylcyclobutane?
The canonical SMILES for 1-(2,3-dimethylbut-3-enyl)-1,2,3-trimethylcyclobutane is C=C(C)C(C)CC1(C)CC(C)C1C.
What is the InChIKey of 1-(2,3-dimethylbut-3-enyl)-1,2,3-trimethylcyclobutane?
The InChIKey is QKPWMCCUNVSAIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24/c1-9(2)10(3)7-13(6)8-11(4)12(13)5/h10-12H,1,7-8H2,2-6H3.
What are the key properties of 1-(2,3-dimethylbut-3-enyl)-1,2,3-trimethylcyclobutane?
1-(2,3-dimethylbut-3-enyl)-1,2,3-trimethylcyclobutane has a molecular weight of 180.33 g/mol, XLogP of 4.27, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylbut-3-enyl)-1,2,3-trimethylcyclobutane is sourced from PubChem (CID 123343186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).