1-butyl-1-iodo-2,2,3,3-tetramethylcyclopropane

C11H21I — CID 101173353

IUPAC1-butyl-1-iodo-2,2,3,3-tetramethylcyclopropane
SMILESCCCCC1(I)C(C)(C)C1(C)C
InChIInChI=1S/C11H21I/c1-6-7-8-11(12)9(2,3)10(11,4)5/h6-8H2,1-5H3
InChIKeyLSQBDSVCOSCENB-UHFFFAOYSA-N
MW280.19 g/mol
LogP4.42
Rot. Bonds3

About 1-butyl-1-iodo-2,2,3,3-tetramethylcyclopropane

1-butyl-1-iodo-2,2,3,3-tetramethylcyclopropane (PubChem CID 101173353) has the molecular formula C11H21I and a molecular weight of 280.19 g/mol. Its IUPAC name is 1-butyl-1-iodo-2,2,3,3-tetramethylcyclopropane.

Molecular Properties

Compound Name1-butyl-1-iodo-2,2,3,3-tetramethylcyclopropane
PubChem CID101173353
Molecular FormulaC11H21I
Molecular Weight280.19 g/mol
Exact Mass280.07
IUPAC Name1-butyl-1-iodo-2,2,3,3-tetramethylcyclopropane
SMILESCCCCC1(I)C(C)(C)C1(C)C
InChIInChI=1S/C11H21I/c1-6-7-8-11(12)9(2,3)10(11,4)5/h6-8H2,1-5H3
InChIKeyLSQBDSVCOSCENB-UHFFFAOYSA-N
XLogP4.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.19
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-1-iodo-2,2,3,3-tetramethylcyclopropane?
The IUPAC name of 1-butyl-1-iodo-2,2,3,3-tetramethylcyclopropane (CID 101173353) is 1-butyl-1-iodo-2,2,3,3-tetramethylcyclopropane.
What is the SMILES notation for 1-butyl-1-iodo-2,2,3,3-tetramethylcyclopropane?
The canonical SMILES for 1-butyl-1-iodo-2,2,3,3-tetramethylcyclopropane is CCCCC1(I)C(C)(C)C1(C)C.
What is the InChIKey of 1-butyl-1-iodo-2,2,3,3-tetramethylcyclopropane?
The InChIKey is LSQBDSVCOSCENB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21I/c1-6-7-8-11(12)9(2,3)10(11,4)5/h6-8H2,1-5H3.
What are the key properties of 1-butyl-1-iodo-2,2,3,3-tetramethylcyclopropane?
1-butyl-1-iodo-2,2,3,3-tetramethylcyclopropane has a molecular weight of 280.19 g/mol, XLogP of 4.42, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-1-iodo-2,2,3,3-tetramethylcyclopropane is sourced from PubChem (CID 101173353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).