trans-(1R,2S)-1-butyl-2-methylcyclopentane

C10H20 — CID 6427719

IUPACtrans-(1R,2S)-1-butyl-2-methylcyclopentane
SMILESCCCC[C@@H]1CCC[C@@H]1C
InChIInChI=1S/C10H20/c1-3-4-7-10-8-5-6-9(10)2/h9-10H,3-8H2,1-2H3/t9-,10+/m0/s1
InChIKeyCBGQSQYVGVKUCW-VHSXEESVSA-N
MW140.27 g/mol
LogP3.61
Rot. Bonds3

About trans-(1R,2S)-1-butyl-2-methylcyclopentane

trans-(1R,2S)-1-butyl-2-methylcyclopentane (PubChem CID 6427719) has the molecular formula C10H20 and a molecular weight of 140.27 g/mol. Its IUPAC name is trans-(1R,2S)-1-butyl-2-methylcyclopentane.

Molecular Properties

Compound Nametrans-(1R,2S)-1-butyl-2-methylcyclopentane
PubChem CID6427719
Molecular FormulaC10H20
Molecular Weight140.27 g/mol
Exact Mass140.16
IUPAC Nametrans-(1R,2S)-1-butyl-2-methylcyclopentane
SMILESCCCC[C@@H]1CCC[C@@H]1C
InChIInChI=1S/C10H20/c1-3-4-7-10-8-5-6-9(10)2/h9-10H,3-8H2,1-2H3/t9-,10+/m0/s1
InChIKeyCBGQSQYVGVKUCW-VHSXEESVSA-N
XLogP3.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.27
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-butyl-2-methylcyclopentane;ethane
CID 143661628
(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 trans-(1R,2S)-1-butyl-2-methylcyclopentane?
The IUPAC name of trans-(1R,2S)-1-butyl-2-methylcyclopentane (CID 6427719) is trans-(1R,2S)-1-butyl-2-methylcyclopentane.
What is the SMILES notation for trans-(1R,2S)-1-butyl-2-methylcyclopentane?
The canonical SMILES for trans-(1R,2S)-1-butyl-2-methylcyclopentane is CCCC[C@@H]1CCC[C@@H]1C.
What is the InChIKey of trans-(1R,2S)-1-butyl-2-methylcyclopentane?
The InChIKey is CBGQSQYVGVKUCW-VHSXEESVSA-N. The full InChI is InChI=1S/C10H20/c1-3-4-7-10-8-5-6-9(10)2/h9-10H,3-8H2,1-2H3/t9-,10+/m0/s1.
What are the key properties of trans-(1R,2S)-1-butyl-2-methylcyclopentane?
trans-(1R,2S)-1-butyl-2-methylcyclopentane has a molecular weight of 140.27 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2S)-1-butyl-2-methylcyclopentane is sourced from PubChem (CID 6427719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).