2-[(E)-1-[(1S,2S)-2-ethylcyclopentyl]oct-1-en-3-yl]oxyoxane

C20H36O2 — CID 134849756

IUPAC2-[(E)-1-[(1S,2S)-2-ethylcyclopentyl]oct-1-en-3-yl]oxyoxane
SMILESCCCCCC(/C=C/[C@H]1CCC[C@@H]1CC)OC1CCCCO1
InChIInChI=1S/C20H36O2/c1-3-5-6-12-19(22-20-13-7-8-16-21-20)15-14-18-11-9-10-17(18)4-2/h14-15,17-20H,3-13,16H2,1-2H3/b15-14+/t17-,18+,19?,20?/m0/s1
InChIKeyCZTAWXIBXSASOI-STTBNZIOSA-N
MW308.51 g/mol
LogP5.86
Rot. Bonds9

About 2-[(E)-1-[(1S,2S)-2-ethylcyclopentyl]oct-1-en-3-yl]oxyoxane

2-[(E)-1-[(1S,2S)-2-ethylcyclopentyl]oct-1-en-3-yl]oxyoxane (PubChem CID 134849756) has the molecular formula C20H36O2 and a molecular weight of 308.51 g/mol. Its IUPAC name is 2-[(E)-1-[(1S,2S)-2-ethylcyclopentyl]oct-1-en-3-yl]oxyoxane.

Molecular Properties

Compound Name2-[(E)-1-[(1S,2S)-2-ethylcyclopentyl]oct-1-en-3-yl]oxyoxane
PubChem CID134849756
Molecular FormulaC20H36O2
Molecular Weight308.51 g/mol
Exact Mass308.27
IUPAC Name2-[(E)-1-[(1S,2S)-2-ethylcyclopentyl]oct-1-en-3-yl]oxyoxane
SMILESCCCCCC(/C=C/[C@H]1CCC[C@@H]1CC)OC1CCCCO1
InChIInChI=1S/C20H36O2/c1-3-5-6-12-19(22-20-13-7-8-16-21-20)15-14-18-11-9-10-17(18)4-2/h14-15,17-20H,3-13,16H2,1-2H3/b15-14+/t17-,18+,19?,20?/m0/s1
InChIKeyCZTAWXIBXSASOI-STTBNZIOSA-N
XLogP5.86
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.51
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

2-[(1S,2R,3R,4S)-3-ethyl-4-fluoro-2-[(Z)-hept-2-enyl]cyclopentyl]oxyoxane
CID 59065318
2-[(Z)-6-[(3R,6R)-6-methoxy-2,3-dimethylcyclohexen-1-yl]hex-3-enoxy]oxane
CID 135050594
3-[(E)-3-(oxan-2-yloxy)oct-1-enyl]cyclopentan-1-one
CID 13327632
2-(2,3,6,6a-tetrahydro-1H-pentalen-3a-yloxy)oxane
CID 20079754
2-(1,2,3,3a,4,6a-Hexahydropentalen-2-yloxy)oxane
CID 20079756
2-[(E,3S)-1-[(1S,2S)-2-(7-bromoheptyl)cyclopentyl]oct-1-en-3-yl]oxyoxane
CID 22808738
7-[(1S,2S)-2-[(E,3S)-3-(oxan-2-yloxy)oct-1-enyl]cyclopentyl]heptan-1-ol
CID 22808749
2-[[(3aS,6aR)-2,3,6,6a-tetrahydro-1H-pentalen-3a-yl]oxy]oxane
CID 22852551
2-[(3S)-1-[(1S,3aS,4S,6aS)-4-but-3-enyl-5-methylidene-2,3,3a,4,6,6a-hexahydro-1H-pentalen-1-yl]oct-1-en-3-yl]oxyoxane
CID 53738836
2-[7-[(1R,2S)-2-oct-1-enylcyclopentyl]-1-(oxan-2-yloxy)hepta-4,5-dienoxy]oxane
CID 57276672
2-[(E,2R,3R)-2,3-dimethyloctadec-4-enoxy]-6-ethyl-3,4,5-trimethyloxane
CID 57679898
2-ethyl-3,4,5-trimethyl-6-[(E,2R,3R,4R)-2,3,4-trimethyloctadec-6-enoxy]oxane
CID 57679902

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-1-[(1S,2S)-2-ethylcyclopentyl]oct-1-en-3-yl]oxyoxane?
The IUPAC name of 2-[(E)-1-[(1S,2S)-2-ethylcyclopentyl]oct-1-en-3-yl]oxyoxane (CID 134849756) is 2-[(E)-1-[(1S,2S)-2-ethylcyclopentyl]oct-1-en-3-yl]oxyoxane.
What is the SMILES notation for 2-[(E)-1-[(1S,2S)-2-ethylcyclopentyl]oct-1-en-3-yl]oxyoxane?
The canonical SMILES for 2-[(E)-1-[(1S,2S)-2-ethylcyclopentyl]oct-1-en-3-yl]oxyoxane is CCCCCC(/C=C/[C@H]1CCC[C@@H]1CC)OC1CCCCO1.
What is the InChIKey of 2-[(E)-1-[(1S,2S)-2-ethylcyclopentyl]oct-1-en-3-yl]oxyoxane?
The InChIKey is CZTAWXIBXSASOI-STTBNZIOSA-N. The full InChI is InChI=1S/C20H36O2/c1-3-5-6-12-19(22-20-13-7-8-16-21-20)15-14-18-11-9-10-17(18)4-2/h14-15,17-20H,3-13,16H2,1-2H3/b15-14+/t17-,18+,19?,20?/m0/s1.
What are the key properties of 2-[(E)-1-[(1S,2S)-2-ethylcyclopentyl]oct-1-en-3-yl]oxyoxane?
2-[(E)-1-[(1S,2S)-2-ethylcyclopentyl]oct-1-en-3-yl]oxyoxane has a molecular weight of 308.51 g/mol, XLogP of 5.86, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-1-[(1S,2S)-2-ethylcyclopentyl]oct-1-en-3-yl]oxyoxane is sourced from PubChem (CID 134849756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).