1-(3,4-dimethylpentyl)-2-ethyl-1-methylcyclopentane

C15H30 — CID 145235208

IUPAC1-(3,4-dimethylpentyl)-2-ethyl-1-methylcyclopentane
SMILESCCC1CCCC1(C)CCC(C)C(C)C
InChIInChI=1S/C15H30/c1-6-14-8-7-10-15(14,5)11-9-13(4)12(2)3/h12-14H,6-11H2,1-5H3
InChIKeyXOVQVAMKBGXWIS-UHFFFAOYSA-N
MW210.41 g/mol
LogP5.28
Rot. Bonds5

About 1-(3,4-dimethylpentyl)-2-ethyl-1-methylcyclopentane

1-(3,4-dimethylpentyl)-2-ethyl-1-methylcyclopentane (PubChem CID 145235208) has the molecular formula C15H30 and a molecular weight of 210.41 g/mol. Its IUPAC name is 1-(3,4-dimethylpentyl)-2-ethyl-1-methylcyclopentane.

Molecular Properties

Compound Name1-(3,4-dimethylpentyl)-2-ethyl-1-methylcyclopentane
PubChem CID145235208
Molecular FormulaC15H30
Molecular Weight210.41 g/mol
Exact Mass210.23
IUPAC Name1-(3,4-dimethylpentyl)-2-ethyl-1-methylcyclopentane
SMILESCCC1CCCC1(C)CCC(C)C(C)C
InChIInChI=1S/C15H30/c1-6-14-8-7-10-15(14,5)11-9-13(4)12(2)3/h12-14H,6-11H2,1-5H3
InChIKeyXOVQVAMKBGXWIS-UHFFFAOYSA-N
XLogP5.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500210.41
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylpentyl)-2-ethyl-1-methylcyclopentane?
The IUPAC name of 1-(3,4-dimethylpentyl)-2-ethyl-1-methylcyclopentane (CID 145235208) is 1-(3,4-dimethylpentyl)-2-ethyl-1-methylcyclopentane.
What is the SMILES notation for 1-(3,4-dimethylpentyl)-2-ethyl-1-methylcyclopentane?
The canonical SMILES for 1-(3,4-dimethylpentyl)-2-ethyl-1-methylcyclopentane is CCC1CCCC1(C)CCC(C)C(C)C.
What is the InChIKey of 1-(3,4-dimethylpentyl)-2-ethyl-1-methylcyclopentane?
The InChIKey is XOVQVAMKBGXWIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30/c1-6-14-8-7-10-15(14,5)11-9-13(4)12(2)3/h12-14H,6-11H2,1-5H3.
What are the key properties of 1-(3,4-dimethylpentyl)-2-ethyl-1-methylcyclopentane?
1-(3,4-dimethylpentyl)-2-ethyl-1-methylcyclopentane has a molecular weight of 210.41 g/mol, XLogP of 5.28, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylpentyl)-2-ethyl-1-methylcyclopentane is sourced from PubChem (CID 145235208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).