trans-(1S,2S)-1-ethyl-2-heptylcyclopentane

C14H28 — CID 175197427

IUPACtrans-(1S,2S)-1-ethyl-2-heptylcyclopentane
SMILESCCCCCCC[C@H]1CCC[C@@H]1CC
InChIInChI=1S/C14H28/c1-3-5-6-7-8-10-14-12-9-11-13(14)4-2/h13-14H,3-12H2,1-2H3/t13-,14-/m0/s1
InChIKeyDUBCGYMRWHUHRM-KBPBESRZSA-N
MW196.38 g/mol
LogP5.17
Rot. Bonds7

About trans-(1S,2S)-1-ethyl-2-heptylcyclopentane

trans-(1S,2S)-1-ethyl-2-heptylcyclopentane (PubChem CID 175197427) has the molecular formula C14H28 and a molecular weight of 196.38 g/mol. Its IUPAC name is trans-(1S,2S)-1-ethyl-2-heptylcyclopentane.

Molecular Properties

Compound Nametrans-(1S,2S)-1-ethyl-2-heptylcyclopentane
PubChem CID175197427
Molecular FormulaC14H28
Molecular Weight196.38 g/mol
Exact Mass196.22
IUPAC Nametrans-(1S,2S)-1-ethyl-2-heptylcyclopentane
SMILESCCCCCCC[C@H]1CCC[C@@H]1CC
InChIInChI=1S/C14H28/c1-3-5-6-7-8-10-14-12-9-11-13(14)4-2/h13-14H,3-12H2,1-2H3/t13-,14-/m0/s1
InChIKeyDUBCGYMRWHUHRM-KBPBESRZSA-N
XLogP5.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500196.38
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-octyl-2-pentylcyclopentane
CID 170668279
1,2-diheptylcyclopentane
CID 102061720
1-heptyl-2-pentylcyclopentane
CID 102061725
1-butyl-2-ethylcyclopentane
CID 522474
1-pentyl-2-propylcyclopentane
CID 549948
trans-(1S,2R)-2-octylcyclopentan-1-amine
CID 97292499
formic acid;1-heptyl-2-octylcyclopentane;methane
CID 158445851
trans-(1R,2S)-2-hexylcyclopentan-1-ol
CID 10797255
cis-(1S,2S)-2-hexylcyclopentan-1-ol
CID 10654739
trans-(1R,2R)-1-butyl-2-propylcyclopentane
CID 14574886
N-[(2-octylcyclopentyl)methyl]cyclopropanamine
CID 81033237
3-(2-octylcyclopentyl)propanoic acid
CID 57357948

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-1-ethyl-2-heptylcyclopentane?
The IUPAC name of trans-(1S,2S)-1-ethyl-2-heptylcyclopentane (CID 175197427) is trans-(1S,2S)-1-ethyl-2-heptylcyclopentane.
What is the SMILES notation for trans-(1S,2S)-1-ethyl-2-heptylcyclopentane?
The canonical SMILES for trans-(1S,2S)-1-ethyl-2-heptylcyclopentane is CCCCCCC[C@H]1CCC[C@@H]1CC.
What is the InChIKey of trans-(1S,2S)-1-ethyl-2-heptylcyclopentane?
The InChIKey is DUBCGYMRWHUHRM-KBPBESRZSA-N. The full InChI is InChI=1S/C14H28/c1-3-5-6-7-8-10-14-12-9-11-13(14)4-2/h13-14H,3-12H2,1-2H3/t13-,14-/m0/s1.
What are the key properties of trans-(1S,2S)-1-ethyl-2-heptylcyclopentane?
trans-(1S,2S)-1-ethyl-2-heptylcyclopentane has a molecular weight of 196.38 g/mol, XLogP of 5.17, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-1-ethyl-2-heptylcyclopentane is sourced from PubChem (CID 175197427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).