1,2-bis(hex-1-enoxy)oct-3-ene

C20H36O2 — CID 87649918

IUPAC1,2-bis(hex-1-enoxy)oct-3-ene
SMILESCCCCC=COCC(C=CCCCC)OC=CCCCC
InChIInChI=1S/C20H36O2/c1-4-7-10-13-16-20(22-18-15-12-9-6-3)19-21-17-14-11-8-5-2/h13-18,20H,4-12,19H2,1-3H3
InChIKeyYXRXTLBBYNWZOA-UHFFFAOYSA-N
MW308.51 g/mol
LogP6.54
Rot. Bonds15

About 1,2-bis(hex-1-enoxy)oct-3-ene

1,2-bis(hex-1-enoxy)oct-3-ene (PubChem CID 87649918) has the molecular formula C20H36O2 and a molecular weight of 308.51 g/mol. Its IUPAC name is 1,2-bis(hex-1-enoxy)oct-3-ene.

Molecular Properties

Compound Name1,2-bis(hex-1-enoxy)oct-3-ene
PubChem CID87649918
Molecular FormulaC20H36O2
Molecular Weight308.51 g/mol
Exact Mass308.27
IUPAC Name1,2-bis(hex-1-enoxy)oct-3-ene
SMILESCCCCC=COCC(C=CCCCC)OC=CCCCC
InChIInChI=1S/C20H36O2/c1-4-7-10-13-16-20(22-18-15-12-9-6-3)19-21-17-14-11-8-5-2/h13-18,20H,4-12,19H2,1-3H3
InChIKeyYXRXTLBBYNWZOA-UHFFFAOYSA-N
XLogP6.54
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.51
LogP ≤ 56.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-ethoxyhex-1-ene
CID 53422434
1-ethoxyundec-1-ene
CID 71331710
1-ethoxytridec-1-ene
CID 173032013
(E)-1-(2-ethylhexoxy)tetracos-1-ene
CID 166757092
(Z)-1-octadec-1-enoxyoctadec-9-en-1-ol
CID 173127737
1,1-dichlorohept-2-ene
CID 87443085
(E)-hept-2-ene-1,1-diol
CID 87660901
3-(1-oct-1-enoxypentyl)undeca-1,4-dien-1-amine
CID 175220578
1-[(E)-dec-1-enoxy]ethanol
CID 19982776
1-butoxynonadec-1-ene
CID 173032007
1-butoxyheptadec-1-ene
CID 173032025
(2R,3R,4R,5S)-1-non-1-enoxy-3,5-bis(non-1-enyl)pentadec-7-ene-2,3,4,5,6-pentol
CID 175991893

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(hex-1-enoxy)oct-3-ene?
The IUPAC name of 1,2-bis(hex-1-enoxy)oct-3-ene (CID 87649918) is 1,2-bis(hex-1-enoxy)oct-3-ene.
What is the SMILES notation for 1,2-bis(hex-1-enoxy)oct-3-ene?
The canonical SMILES for 1,2-bis(hex-1-enoxy)oct-3-ene is CCCCC=COCC(C=CCCCC)OC=CCCCC.
What is the InChIKey of 1,2-bis(hex-1-enoxy)oct-3-ene?
The InChIKey is YXRXTLBBYNWZOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36O2/c1-4-7-10-13-16-20(22-18-15-12-9-6-3)19-21-17-14-11-8-5-2/h13-18,20H,4-12,19H2,1-3H3.
What are the key properties of 1,2-bis(hex-1-enoxy)oct-3-ene?
1,2-bis(hex-1-enoxy)oct-3-ene has a molecular weight of 308.51 g/mol, XLogP of 6.54, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(hex-1-enoxy)oct-3-ene is sourced from PubChem (CID 87649918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).