1-(2,3-dimethylbut-2-enyl)-2-methyl-4-[1-(2-methylcyclopropyl)propan-2-yl]bicyclo[1.1.0]butane

C18H30 — CID 123968382

IUPAC1-(2,3-dimethylbut-2-enyl)-2-methyl-4-[1-(2-methylcyclopropyl)propan-2-yl]bicyclo[1.1.0]butane
SMILESCC(C)=C(C)CC12C(C)C1C2C(C)CC1CC1C
InChIInChI=1S/C18H30/c1-10(2)13(5)9-18-14(6)17(18)16(18)12(4)8-15-7-11(15)3/h11-12,14-17H,7-9H2,1-6H3
InChIKeyUXGVLHWNXIXGLU-UHFFFAOYSA-N
MW246.44 g/mol
LogP5.30
Rot. Bonds5

About 1-(2,3-dimethylbut-2-enyl)-2-methyl-4-[1-(2-methylcyclopropyl)propan-2-yl]bicyclo[1.1.0]butane

1-(2,3-dimethylbut-2-enyl)-2-methyl-4-[1-(2-methylcyclopropyl)propan-2-yl]bicyclo[1.1.0]butane (PubChem CID 123968382) has the molecular formula C18H30 and a molecular weight of 246.44 g/mol. Its IUPAC name is 1-(2,3-dimethylbut-2-enyl)-2-methyl-4-[1-(2-methylcyclopropyl)propan-2-yl]bicyclo[1.1.0]butane.

Molecular Properties

Compound Name1-(2,3-dimethylbut-2-enyl)-2-methyl-4-[1-(2-methylcyclopropyl)propan-2-yl]bicyclo[1.1.0]butane
PubChem CID123968382
Molecular FormulaC18H30
Molecular Weight246.44 g/mol
Exact Mass246.23
IUPAC Name1-(2,3-dimethylbut-2-enyl)-2-methyl-4-[1-(2-methylcyclopropyl)propan-2-yl]bicyclo[1.1.0]butane
SMILESCC(C)=C(C)CC12C(C)C1C2C(C)CC1CC1C
InChIInChI=1S/C18H30/c1-10(2)13(5)9-18-14(6)17(18)16(18)12(4)8-15-7-11(15)3/h11-12,14-17H,7-9H2,1-6H3
InChIKeyUXGVLHWNXIXGLU-UHFFFAOYSA-N
XLogP5.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500246.44
LogP ≤ 55.30
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-2-enyl)-2-methyl-4-[1-(2-methylcyclopropyl)propan-2-yl]bicyclo[1.1.0]butane?
The IUPAC name of 1-(2,3-dimethylbut-2-enyl)-2-methyl-4-[1-(2-methylcyclopropyl)propan-2-yl]bicyclo[1.1.0]butane (CID 123968382) is 1-(2,3-dimethylbut-2-enyl)-2-methyl-4-[1-(2-methylcyclopropyl)propan-2-yl]bicyclo[1.1.0]butane.
What is the SMILES notation for 1-(2,3-dimethylbut-2-enyl)-2-methyl-4-[1-(2-methylcyclopropyl)propan-2-yl]bicyclo[1.1.0]butane?
The canonical SMILES for 1-(2,3-dimethylbut-2-enyl)-2-methyl-4-[1-(2-methylcyclopropyl)propan-2-yl]bicyclo[1.1.0]butane is CC(C)=C(C)CC12C(C)C1C2C(C)CC1CC1C.
What is the InChIKey of 1-(2,3-dimethylbut-2-enyl)-2-methyl-4-[1-(2-methylcyclopropyl)propan-2-yl]bicyclo[1.1.0]butane?
The InChIKey is UXGVLHWNXIXGLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30/c1-10(2)13(5)9-18-14(6)17(18)16(18)12(4)8-15-7-11(15)3/h11-12,14-17H,7-9H2,1-6H3.
What are the key properties of 1-(2,3-dimethylbut-2-enyl)-2-methyl-4-[1-(2-methylcyclopropyl)propan-2-yl]bicyclo[1.1.0]butane?
1-(2,3-dimethylbut-2-enyl)-2-methyl-4-[1-(2-methylcyclopropyl)propan-2-yl]bicyclo[1.1.0]butane has a molecular weight of 246.44 g/mol, XLogP of 5.30, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylbut-2-enyl)-2-methyl-4-[1-(2-methylcyclopropyl)propan-2-yl]bicyclo[1.1.0]butane is sourced from PubChem (CID 123968382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).