2-butyl-1,1-dimethylcyclopropane

C9H18 — CID 524622

IUPAC2-butyl-1,1-dimethylcyclopropane
SMILESCCCCC1CC1(C)C
InChIInChI=1S/C9H18/c1-4-5-6-8-7-9(8,2)3/h8H,4-7H2,1-3H3
InChIKeyDNSANEYRJQIXEM-UHFFFAOYSA-N
MW126.24 g/mol
LogP3.22
Rot. Bonds3

About 2-butyl-1,1-dimethylcyclopropane

2-butyl-1,1-dimethylcyclopropane (PubChem CID 524622) has the molecular formula C9H18 and a molecular weight of 126.24 g/mol. Its IUPAC name is 2-butyl-1,1-dimethylcyclopropane.

Molecular Properties

Compound Name2-butyl-1,1-dimethylcyclopropane
PubChem CID524622
Molecular FormulaC9H18
Molecular Weight126.24 g/mol
Exact Mass126.14
IUPAC Name2-butyl-1,1-dimethylcyclopropane
SMILESCCCCC1CC1(C)C
InChIInChI=1S/C9H18/c1-4-5-6-8-7-9(8,2)3/h8H,4-7H2,1-3H3
InChIKeyDNSANEYRJQIXEM-UHFFFAOYSA-N
XLogP3.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.24
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-1,1-dimethylcyclopropane?
The IUPAC name of 2-butyl-1,1-dimethylcyclopropane (CID 524622) is 2-butyl-1,1-dimethylcyclopropane.
What is the SMILES notation for 2-butyl-1,1-dimethylcyclopropane?
The canonical SMILES for 2-butyl-1,1-dimethylcyclopropane is CCCCC1CC1(C)C.
What is the InChIKey of 2-butyl-1,1-dimethylcyclopropane?
The InChIKey is DNSANEYRJQIXEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18/c1-4-5-6-8-7-9(8,2)3/h8H,4-7H2,1-3H3.
What are the key properties of 2-butyl-1,1-dimethylcyclopropane?
2-butyl-1,1-dimethylcyclopropane has a molecular weight of 126.24 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-1,1-dimethylcyclopropane is sourced from PubChem (CID 524622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).