2-(3,4-dimethylpentyl)-1,3-dimethyl-1-(2-methylbutyl)cyclopropane

C17H34 — CID 123868071

IUPAC2-(3,4-dimethylpentyl)-1,3-dimethyl-1-(2-methylbutyl)cyclopropane
SMILESCCC(C)CC1(C)C(C)C1CCC(C)C(C)C
InChIInChI=1S/C17H34/c1-8-13(4)11-17(7)15(6)16(17)10-9-14(5)12(2)3/h12-16H,8-11H2,1-7H3
InChIKeyRFYFMUIUSMXLPF-UHFFFAOYSA-N
MW238.46 g/mol
LogP5.77
Rot. Bonds7

About 2-(3,4-dimethylpentyl)-1,3-dimethyl-1-(2-methylbutyl)cyclopropane

2-(3,4-dimethylpentyl)-1,3-dimethyl-1-(2-methylbutyl)cyclopropane (PubChem CID 123868071) has the molecular formula C17H34 and a molecular weight of 238.46 g/mol. Its IUPAC name is 2-(3,4-dimethylpentyl)-1,3-dimethyl-1-(2-methylbutyl)cyclopropane.

Molecular Properties

Compound Name2-(3,4-dimethylpentyl)-1,3-dimethyl-1-(2-methylbutyl)cyclopropane
PubChem CID123868071
Molecular FormulaC17H34
Molecular Weight238.46 g/mol
Exact Mass238.27
IUPAC Name2-(3,4-dimethylpentyl)-1,3-dimethyl-1-(2-methylbutyl)cyclopropane
SMILESCCC(C)CC1(C)C(C)C1CCC(C)C(C)C
InChIInChI=1S/C17H34/c1-8-13(4)11-17(7)15(6)16(17)10-9-14(5)12(2)3/h12-16H,8-11H2,1-7H3
InChIKeyRFYFMUIUSMXLPF-UHFFFAOYSA-N
XLogP5.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500238.46
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylpentyl)-1,3-dimethyl-1-(2-methylbutyl)cyclopropane?
The IUPAC name of 2-(3,4-dimethylpentyl)-1,3-dimethyl-1-(2-methylbutyl)cyclopropane (CID 123868071) is 2-(3,4-dimethylpentyl)-1,3-dimethyl-1-(2-methylbutyl)cyclopropane.
What is the SMILES notation for 2-(3,4-dimethylpentyl)-1,3-dimethyl-1-(2-methylbutyl)cyclopropane?
The canonical SMILES for 2-(3,4-dimethylpentyl)-1,3-dimethyl-1-(2-methylbutyl)cyclopropane is CCC(C)CC1(C)C(C)C1CCC(C)C(C)C.
What is the InChIKey of 2-(3,4-dimethylpentyl)-1,3-dimethyl-1-(2-methylbutyl)cyclopropane?
The InChIKey is RFYFMUIUSMXLPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34/c1-8-13(4)11-17(7)15(6)16(17)10-9-14(5)12(2)3/h12-16H,8-11H2,1-7H3.
What are the key properties of 2-(3,4-dimethylpentyl)-1,3-dimethyl-1-(2-methylbutyl)cyclopropane?
2-(3,4-dimethylpentyl)-1,3-dimethyl-1-(2-methylbutyl)cyclopropane has a molecular weight of 238.46 g/mol, XLogP of 5.77, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylpentyl)-1,3-dimethyl-1-(2-methylbutyl)cyclopropane is sourced from PubChem (CID 123868071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).