2-(2,4-dimethyl-3-propylhex-3-enyl)-1,2-dimethylbicyclo[1.1.0]butane

C17H30 — CID 123539463

IUPAC2-(2,4-dimethyl-3-propylhex-3-enyl)-1,2-dimethylbicyclo[1.1.0]butane
SMILESCCCC(=C(C)CC)C(C)CC1(C)C2CC21C
InChIInChI=1S/C17H30/c1-7-9-14(12(3)8-2)13(4)10-16(5)15-11-17(15,16)6/h13,15H,7-11H2,1-6H3
InChIKeyMWCWPJXMIZIZCH-UHFFFAOYSA-N
MW234.43 g/mol
LogP5.59
Rot. Bonds6

About 2-(2,4-dimethyl-3-propylhex-3-enyl)-1,2-dimethylbicyclo[1.1.0]butane

2-(2,4-dimethyl-3-propylhex-3-enyl)-1,2-dimethylbicyclo[1.1.0]butane (PubChem CID 123539463) has the molecular formula C17H30 and a molecular weight of 234.43 g/mol. Its IUPAC name is 2-(2,4-dimethyl-3-propylhex-3-enyl)-1,2-dimethylbicyclo[1.1.0]butane.

Molecular Properties

Compound Name2-(2,4-dimethyl-3-propylhex-3-enyl)-1,2-dimethylbicyclo[1.1.0]butane
PubChem CID123539463
Molecular FormulaC17H30
Molecular Weight234.43 g/mol
Exact Mass234.23
IUPAC Name2-(2,4-dimethyl-3-propylhex-3-enyl)-1,2-dimethylbicyclo[1.1.0]butane
SMILESCCCC(=C(C)CC)C(C)CC1(C)C2CC21C
InChIInChI=1S/C17H30/c1-7-9-14(12(3)8-2)13(4)10-16(5)15-11-17(15,16)6/h13,15H,7-11H2,1-6H3
InChIKeyMWCWPJXMIZIZCH-UHFFFAOYSA-N
XLogP5.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500234.43
LogP ≤ 55.59
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 2-(2,4-dimethyl-3-propylhex-3-enyl)-1,2-dimethylbicyclo[1.1.0]butane?
The IUPAC name of 2-(2,4-dimethyl-3-propylhex-3-enyl)-1,2-dimethylbicyclo[1.1.0]butane (CID 123539463) is 2-(2,4-dimethyl-3-propylhex-3-enyl)-1,2-dimethylbicyclo[1.1.0]butane.
What is the SMILES notation for 2-(2,4-dimethyl-3-propylhex-3-enyl)-1,2-dimethylbicyclo[1.1.0]butane?
The canonical SMILES for 2-(2,4-dimethyl-3-propylhex-3-enyl)-1,2-dimethylbicyclo[1.1.0]butane is CCCC(=C(C)CC)C(C)CC1(C)C2CC21C.
What is the InChIKey of 2-(2,4-dimethyl-3-propylhex-3-enyl)-1,2-dimethylbicyclo[1.1.0]butane?
The InChIKey is MWCWPJXMIZIZCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30/c1-7-9-14(12(3)8-2)13(4)10-16(5)15-11-17(15,16)6/h13,15H,7-11H2,1-6H3.
What are the key properties of 2-(2,4-dimethyl-3-propylhex-3-enyl)-1,2-dimethylbicyclo[1.1.0]butane?
2-(2,4-dimethyl-3-propylhex-3-enyl)-1,2-dimethylbicyclo[1.1.0]butane has a molecular weight of 234.43 g/mol, XLogP of 5.59, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethyl-3-propylhex-3-enyl)-1,2-dimethylbicyclo[1.1.0]butane is sourced from PubChem (CID 123539463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).