trans-(1R,2R)-1-butyl-2-propylcyclopentane

C12H24 — CID 14574886

IUPACtrans-(1R,2R)-1-butyl-2-propylcyclopentane
SMILESCCCC[C@@H]1CCC[C@H]1CCC
InChIInChI=1S/C12H24/c1-3-5-8-12-10-6-9-11(12)7-4-2/h11-12H,3-10H2,1-2H3/t11-,12-/m1/s1
InChIKeyWYTQXVUYUANSKO-VXGBXAGGSA-N
MW168.32 g/mol
LogP4.39
Rot. Bonds5

About trans-(1R,2R)-1-butyl-2-propylcyclopentane

trans-(1R,2R)-1-butyl-2-propylcyclopentane (PubChem CID 14574886) has the molecular formula C12H24 and a molecular weight of 168.32 g/mol. Its IUPAC name is trans-(1R,2R)-1-butyl-2-propylcyclopentane.

Molecular Properties

Compound Nametrans-(1R,2R)-1-butyl-2-propylcyclopentane
PubChem CID14574886
Molecular FormulaC12H24
Molecular Weight168.32 g/mol
Exact Mass168.19
IUPAC Nametrans-(1R,2R)-1-butyl-2-propylcyclopentane
SMILESCCCC[C@@H]1CCC[C@H]1CCC
InChIInChI=1S/C12H24/c1-3-5-8-12-10-6-9-11(12)7-4-2/h11-12H,3-10H2,1-2H3/t11-,12-/m1/s1
InChIKeyWYTQXVUYUANSKO-VXGBXAGGSA-N
XLogP4.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.32
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-pentyl-2-propylcyclopentane
CID 549948
1-butyl-2-ethylcyclopentane
CID 522474
1,2-diheptylcyclopentane
CID 102061720
1-octyl-2-pentylcyclopentane
CID 170668279
1-heptyl-2-pentylcyclopentane
CID 102061725
cis-(1S,2R)-1,2-dipropylcyclohexane
CID 143217114
trans-(1R,2S)-1-butyl-2-methylcyclopentane
CID 6427719
[(1S,2S)-2-propylcyclopentyl]methanamine
CID 124512847
trans-(1S,2S)-1-ethyl-2-heptylcyclopentane
CID 175197427
1-butyl-2-methylcyclopentane;ethane
CID 143661628
(1R)-1-ethyl-2-propylcyclohexane
CID 142312859
(1S)-1-butyl-2-methylcyclohexane
CID 145054487

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-1-butyl-2-propylcyclopentane?
The IUPAC name of trans-(1R,2R)-1-butyl-2-propylcyclopentane (CID 14574886) is trans-(1R,2R)-1-butyl-2-propylcyclopentane.
What is the SMILES notation for trans-(1R,2R)-1-butyl-2-propylcyclopentane?
The canonical SMILES for trans-(1R,2R)-1-butyl-2-propylcyclopentane is CCCC[C@@H]1CCC[C@H]1CCC.
What is the InChIKey of trans-(1R,2R)-1-butyl-2-propylcyclopentane?
The InChIKey is WYTQXVUYUANSKO-VXGBXAGGSA-N. The full InChI is InChI=1S/C12H24/c1-3-5-8-12-10-6-9-11(12)7-4-2/h11-12H,3-10H2,1-2H3/t11-,12-/m1/s1.
What are the key properties of trans-(1R,2R)-1-butyl-2-propylcyclopentane?
trans-(1R,2R)-1-butyl-2-propylcyclopentane has a molecular weight of 168.32 g/mol, XLogP of 4.39, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-1-butyl-2-propylcyclopentane is sourced from PubChem (CID 14574886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).