1-butyl-2-methylcyclopentane;ethane

C12H26 — CID 143661628

IUPAC1-butyl-2-methylcyclopentane;ethane
SMILESCC.CCCCC1CCCC1C
InChIInChI=1S/C10H20.C2H6/c1-3-4-7-10-8-5-6-9(10)2;1-2/h9-10H,3-8H2,1-2H3;1-2H3
InChIKeyPHPHYOZEPXQECY-UHFFFAOYSA-N
MW170.34 g/mol
LogP4.64
Rot. Bonds3

About 1-butyl-2-methylcyclopentane;ethane

1-butyl-2-methylcyclopentane;ethane (PubChem CID 143661628) has the molecular formula C12H26 and a molecular weight of 170.34 g/mol. Its IUPAC name is 1-butyl-2-methylcyclopentane;ethane.

Molecular Properties

Compound Name1-butyl-2-methylcyclopentane;ethane
PubChem CID143661628
Molecular FormulaC12H26
Molecular Weight170.34 g/mol
Exact Mass170.20
IUPAC Name1-butyl-2-methylcyclopentane;ethane
SMILESCC.CCCCC1CCCC1C
InChIInChI=1S/C10H20.C2H6/c1-3-4-7-10-8-5-6-9(10)2;1-2/h9-10H,3-8H2,1-2H3;1-2H3
InChIKeyPHPHYOZEPXQECY-UHFFFAOYSA-N
XLogP4.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.34
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

trans-(1R,2S)-1-butyl-2-methylcyclopentane
CID 6427719
(1S)-1-butyl-2-methylcyclohexane
CID 145054487
1-decyl-2-methylcyclohexane
CID 123746851
1-butyl-2,3-dimethylcycloheptane
CID 123688488
trans-(1R,2R)-1-butyl-2-propylcyclopentane
CID 14574886
1-butyl-2-ethylcyclopentane
CID 522474
1,2-diheptylcyclopentane
CID 102061720
1-heptyl-2-pentylcyclopentane
CID 102061725
1-octyl-2-pentylcyclopentane
CID 170668279
trans-(1R,2S)-1-butyl-2-methylcyclopropane
CID 102002542
cis-(1S,2S)-1-butyl-2-methylcyclopropane
CID 15579941
1-pentyl-2-propylcyclopentane
CID 549948

Frequently Asked Questions

What is the IUPAC name of 1-butyl-2-methylcyclopentane;ethane?
The IUPAC name of 1-butyl-2-methylcyclopentane;ethane (CID 143661628) is 1-butyl-2-methylcyclopentane;ethane.
What is the SMILES notation for 1-butyl-2-methylcyclopentane;ethane?
The canonical SMILES for 1-butyl-2-methylcyclopentane;ethane is CC.CCCCC1CCCC1C.
What is the InChIKey of 1-butyl-2-methylcyclopentane;ethane?
The InChIKey is PHPHYOZEPXQECY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20.C2H6/c1-3-4-7-10-8-5-6-9(10)2;1-2/h9-10H,3-8H2,1-2H3;1-2H3.
What are the key properties of 1-butyl-2-methylcyclopentane;ethane?
1-butyl-2-methylcyclopentane;ethane has a molecular weight of 170.34 g/mol, XLogP of 4.64, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2-methylcyclopentane;ethane is sourced from PubChem (CID 143661628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).