1,2-dimethyl-2-propan-2-yl-4-prop-2-enylbicyclo[1.1.0]butane

C12H20 — CID 91019597

IUPAC1,2-dimethyl-2-propan-2-yl-4-prop-2-enylbicyclo[1.1.0]butane
SMILESC=CCC1C2C(C)(C(C)C)C12C
InChIInChI=1S/C12H20/c1-6-7-9-10-11(4,8(2)3)12(9,10)5/h6,8-10H,1,7H2,2-5H3
InChIKeyLYMINXRREHSBPZ-UHFFFAOYSA-N
MW164.29 g/mol
LogP3.49
Rot. Bonds3

About 1,2-dimethyl-2-propan-2-yl-4-prop-2-enylbicyclo[1.1.0]butane

1,2-dimethyl-2-propan-2-yl-4-prop-2-enylbicyclo[1.1.0]butane (PubChem CID 91019597) has the molecular formula C12H20 and a molecular weight of 164.29 g/mol. Its IUPAC name is 1,2-dimethyl-2-propan-2-yl-4-prop-2-enylbicyclo[1.1.0]butane.

Molecular Properties

Compound Name1,2-dimethyl-2-propan-2-yl-4-prop-2-enylbicyclo[1.1.0]butane
PubChem CID91019597
Molecular FormulaC12H20
Molecular Weight164.29 g/mol
Exact Mass164.16
IUPAC Name1,2-dimethyl-2-propan-2-yl-4-prop-2-enylbicyclo[1.1.0]butane
SMILESC=CCC1C2C(C)(C(C)C)C12C
InChIInChI=1S/C12H20/c1-6-7-9-10-11(4,8(2)3)12(9,10)5/h6,8-10H,1,7H2,2-5H3
InChIKeyLYMINXRREHSBPZ-UHFFFAOYSA-N
XLogP3.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.29
LogP ≤ 53.49
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-dimethyl-2-propan-2-yl-4-prop-2-enylbicyclo[1.1.0]butane?
The IUPAC name of 1,2-dimethyl-2-propan-2-yl-4-prop-2-enylbicyclo[1.1.0]butane (CID 91019597) is 1,2-dimethyl-2-propan-2-yl-4-prop-2-enylbicyclo[1.1.0]butane.
What is the SMILES notation for 1,2-dimethyl-2-propan-2-yl-4-prop-2-enylbicyclo[1.1.0]butane?
The canonical SMILES for 1,2-dimethyl-2-propan-2-yl-4-prop-2-enylbicyclo[1.1.0]butane is C=CCC1C2C(C)(C(C)C)C12C.
What is the InChIKey of 1,2-dimethyl-2-propan-2-yl-4-prop-2-enylbicyclo[1.1.0]butane?
The InChIKey is LYMINXRREHSBPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20/c1-6-7-9-10-11(4,8(2)3)12(9,10)5/h6,8-10H,1,7H2,2-5H3.
What are the key properties of 1,2-dimethyl-2-propan-2-yl-4-prop-2-enylbicyclo[1.1.0]butane?
1,2-dimethyl-2-propan-2-yl-4-prop-2-enylbicyclo[1.1.0]butane has a molecular weight of 164.29 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-2-propan-2-yl-4-prop-2-enylbicyclo[1.1.0]butane is sourced from PubChem (CID 91019597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).