(E)-1,4,5-trimethoxypent-2-ene

C8H16O3 — CID 20648302

IUPAC(E)-1,4,5-trimethoxypent-2-ene
SMILESCOC/C=C/C(COC)OC
InChIInChI=1S/C8H16O3/c1-9-6-4-5-8(11-3)7-10-2/h4-5,8H,6-7H2,1-3H3/b5-4+
InChIKeyWRDVOKAABBCSAL-SNAWJCMRSA-N
MW160.21 g/mol
LogP0.85
Rot. Bonds6

About (E)-1,4,5-trimethoxypent-2-ene

(E)-1,4,5-trimethoxypent-2-ene (PubChem CID 20648302) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is (E)-1,4,5-trimethoxypent-2-ene.

Molecular Properties

Compound Name(E)-1,4,5-trimethoxypent-2-ene
PubChem CID20648302
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name(E)-1,4,5-trimethoxypent-2-ene
SMILESCOC/C=C/C(COC)OC
InChIInChI=1S/C8H16O3/c1-9-6-4-5-8(11-3)7-10-2/h4-5,8H,6-7H2,1-3H3/b5-4+
InChIKeyWRDVOKAABBCSAL-SNAWJCMRSA-N
XLogP0.85
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-1,4,5-trimethoxypent-2-ene?
The IUPAC name of (E)-1,4,5-trimethoxypent-2-ene (CID 20648302) is (E)-1,4,5-trimethoxypent-2-ene.
What is the SMILES notation for (E)-1,4,5-trimethoxypent-2-ene?
The canonical SMILES for (E)-1,4,5-trimethoxypent-2-ene is COC/C=C/C(COC)OC.
What is the InChIKey of (E)-1,4,5-trimethoxypent-2-ene?
The InChIKey is WRDVOKAABBCSAL-SNAWJCMRSA-N. The full InChI is InChI=1S/C8H16O3/c1-9-6-4-5-8(11-3)7-10-2/h4-5,8H,6-7H2,1-3H3/b5-4+.
What are the key properties of (E)-1,4,5-trimethoxypent-2-ene?
(E)-1,4,5-trimethoxypent-2-ene has a molecular weight of 160.21 g/mol, XLogP of 0.85, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,4,5-trimethoxypent-2-ene is sourced from PubChem (CID 20648302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).