trans-(1R,2R)-2-butylcyclopentane-1-carbaldehyde

C10H18O — CID 131854449

IUPACtrans-(1R,2R)-2-butylcyclopentane-1-carbaldehyde
SMILESCCCC[C@@H]1CCC[C@H]1C=O
InChIInChI=1S/C10H18O/c1-2-3-5-9-6-4-7-10(9)8-11/h8-10H,2-7H2,1H3/t9-,10+/m1/s1
InChIKeyYFOMWSDEFGQXRL-ZJUUUORDSA-N
MW154.25 g/mol
LogP2.79
Rot. Bonds4

About trans-(1R,2R)-2-butylcyclopentane-1-carbaldehyde

trans-(1R,2R)-2-butylcyclopentane-1-carbaldehyde (PubChem CID 131854449) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is trans-(1R,2R)-2-butylcyclopentane-1-carbaldehyde.

Molecular Properties

Compound Nametrans-(1R,2R)-2-butylcyclopentane-1-carbaldehyde
PubChem CID131854449
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Nametrans-(1R,2R)-2-butylcyclopentane-1-carbaldehyde
SMILESCCCC[C@@H]1CCC[C@H]1C=O
InChIInChI=1S/C10H18O/c1-2-3-5-9-6-4-7-10(9)8-11/h8-10H,2-7H2,1H3/t9-,10+/m1/s1
InChIKeyYFOMWSDEFGQXRL-ZJUUUORDSA-N
XLogP2.79
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

3-pentylcyclohexane-1,2-dicarbaldehyde
CID 91238755
2-[3-(2,6-dimethylcyclohexyl)propyl]cyclohexane-1-carbaldehyde
CID 88959857
2-[7-(2,6-dimethylcyclohexyl)heptyl]cyclohexane-1-carbaldehyde
CID 88960006
trans-(1R,2R)-1-butyl-2-propylcyclopentane
CID 14574886
2-[7-(3-methylcyclohexyl)heptyl]cyclohexane-1-carbaldehyde
CID 88959726
2-[3-(3,5-dimethylcyclohexyl)propyl]cyclohexane-1-carbaldehyde
CID 88959696
1-butyl-2-ethylcyclopentane
CID 522474
formic acid;1-heptyl-2-octylcyclopentane;methane
CID 158445851
trans-(1S,2S)-1-hept-1-enyl-2-hexylcyclopentane
CID 57208153
trans-(1S,2S)-1-hexyl-2-oct-1-enylcyclopentane
CID 54258252
trans-(1S,2S)-1-dec-1-enyl-2-hexylcyclopentane
CID 54565443
trans-(1R,2S)-1-butyl-2-methylcyclopentane
CID 6427719

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-butylcyclopentane-1-carbaldehyde?
The IUPAC name of trans-(1R,2R)-2-butylcyclopentane-1-carbaldehyde (CID 131854449) is trans-(1R,2R)-2-butylcyclopentane-1-carbaldehyde.
What is the SMILES notation for trans-(1R,2R)-2-butylcyclopentane-1-carbaldehyde?
The canonical SMILES for trans-(1R,2R)-2-butylcyclopentane-1-carbaldehyde is CCCC[C@@H]1CCC[C@H]1C=O.
What is the InChIKey of trans-(1R,2R)-2-butylcyclopentane-1-carbaldehyde?
The InChIKey is YFOMWSDEFGQXRL-ZJUUUORDSA-N. The full InChI is InChI=1S/C10H18O/c1-2-3-5-9-6-4-7-10(9)8-11/h8-10H,2-7H2,1H3/t9-,10+/m1/s1.
What are the key properties of trans-(1R,2R)-2-butylcyclopentane-1-carbaldehyde?
trans-(1R,2R)-2-butylcyclopentane-1-carbaldehyde has a molecular weight of 154.25 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-butylcyclopentane-1-carbaldehyde is sourced from PubChem (CID 131854449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).