(1E)-1-ethylidene-3-octylcyclopentane

C15H28 — CID 24977760

IUPAC(1E)-1-ethylidene-3-octylcyclopentane
SMILESC/C=C1\CCC(CCCCCCCC)C1
InChIInChI=1S/C15H28/c1-3-5-6-7-8-9-10-15-12-11-14(4-2)13-15/h4,15H,3,5-13H2,1-2H3/b14-4+
InChIKeyPKSQUHCKLGCRHP-LNKIKWGQSA-N
MW208.39 g/mol
LogP5.48
Rot. Bonds7

About (1E)-1-ethylidene-3-octylcyclopentane

(1E)-1-ethylidene-3-octylcyclopentane (PubChem CID 24977760) has the molecular formula C15H28 and a molecular weight of 208.39 g/mol. Its IUPAC name is (1E)-1-ethylidene-3-octylcyclopentane.

Molecular Properties

Compound Name(1E)-1-ethylidene-3-octylcyclopentane
PubChem CID24977760
Molecular FormulaC15H28
Molecular Weight208.39 g/mol
Exact Mass208.22
IUPAC Name(1E)-1-ethylidene-3-octylcyclopentane
SMILESC/C=C1\CCC(CCCCCCCC)C1
InChIInChI=1S/C15H28/c1-3-5-6-7-8-9-10-15-12-11-14(4-2)13-15/h4,15H,3,5-13H2,1-2H3/b14-4+
InChIKeyPKSQUHCKLGCRHP-LNKIKWGQSA-N
XLogP5.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500208.39
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3-pentylcyclopentan-1-one
CID 11040911
1-(chloro(113C)methylidene)-3-hexylcyclobutane
CID 10797681
1-hexyl-3-(iodo(113C)methylidene)cyclobutane
CID 10850272
4-decylcyclohexan-1-one
CID 13479948
1,4-dihexylcyclohexane
CID 22947938
tetradecane;undecylcyclopropane
CID 173215670
1-dodecyl-4-pentadecylcyclohexane
CID 123560684
octadecane;pentadecylcyclopropane
CID 173301851
(3S)-3-hexylcyclohexan-1-one
CID 15091678
3-octylcyclohexan-1-one
CID 11830718
azane;hexylcyclopropane
CID 135322230
4-[2-(4-heptylcyclohexyl)ethyl]cyclohexan-1-one
CID 15006713

Frequently Asked Questions

What is the IUPAC name of (1E)-1-ethylidene-3-octylcyclopentane?
The IUPAC name of (1E)-1-ethylidene-3-octylcyclopentane (CID 24977760) is (1E)-1-ethylidene-3-octylcyclopentane.
What is the SMILES notation for (1E)-1-ethylidene-3-octylcyclopentane?
The canonical SMILES for (1E)-1-ethylidene-3-octylcyclopentane is C/C=C1\CCC(CCCCCCCC)C1.
What is the InChIKey of (1E)-1-ethylidene-3-octylcyclopentane?
The InChIKey is PKSQUHCKLGCRHP-LNKIKWGQSA-N. The full InChI is InChI=1S/C15H28/c1-3-5-6-7-8-9-10-15-12-11-14(4-2)13-15/h4,15H,3,5-13H2,1-2H3/b14-4+.
What are the key properties of (1E)-1-ethylidene-3-octylcyclopentane?
(1E)-1-ethylidene-3-octylcyclopentane has a molecular weight of 208.39 g/mol, XLogP of 5.48, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-1-ethylidene-3-octylcyclopentane is sourced from PubChem (CID 24977760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).