(E)-5-[(E)-5,5-dimethoxypent-3-enoxy]-1,1-dimethoxypent-2-ene

C14H26O5 — CID 135359007

IUPAC(E)-5-[(E)-5,5-dimethoxypent-3-enoxy]-1,1-dimethoxypent-2-ene
SMILESCOC(/C=C/CCOCC/C=C/C(OC)OC)OC
InChIInChI=1S/C14H26O5/c1-15-13(16-2)9-5-7-11-19-12-8-6-10-14(17-3)18-4/h5-6,9-10,13-14H,7-8,11-12H2,1-4H3/b9-5+,10-6+
InChIKeyHQWHSQHHRMZYEX-NXZHAISVSA-N
MW274.36 g/mol
LogP2.13
Rot. Bonds12

About (E)-5-[(E)-5,5-dimethoxypent-3-enoxy]-1,1-dimethoxypent-2-ene

(E)-5-[(E)-5,5-dimethoxypent-3-enoxy]-1,1-dimethoxypent-2-ene (PubChem CID 135359007) has the molecular formula C14H26O5 and a molecular weight of 274.36 g/mol. Its IUPAC name is (E)-5-[(E)-5,5-dimethoxypent-3-enoxy]-1,1-dimethoxypent-2-ene.

Molecular Properties

Compound Name(E)-5-[(E)-5,5-dimethoxypent-3-enoxy]-1,1-dimethoxypent-2-ene
PubChem CID135359007
Molecular FormulaC14H26O5
Molecular Weight274.36 g/mol
Exact Mass274.18
IUPAC Name(E)-5-[(E)-5,5-dimethoxypent-3-enoxy]-1,1-dimethoxypent-2-ene
SMILESCOC(/C=C/CCOCC/C=C/C(OC)OC)OC
InChIInChI=1S/C14H26O5/c1-15-13(16-2)9-5-7-11-19-12-8-6-10-14(17-3)18-4/h5-6,9-10,13-14H,7-8,11-12H2,1-4H3/b9-5+,10-6+
InChIKeyHQWHSQHHRMZYEX-NXZHAISVSA-N
XLogP2.13
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-5-[(E)-5,5-dimethoxypent-3-enoxy]-1,1-dimethoxypent-2-ene?
The IUPAC name of (E)-5-[(E)-5,5-dimethoxypent-3-enoxy]-1,1-dimethoxypent-2-ene (CID 135359007) is (E)-5-[(E)-5,5-dimethoxypent-3-enoxy]-1,1-dimethoxypent-2-ene.
What is the SMILES notation for (E)-5-[(E)-5,5-dimethoxypent-3-enoxy]-1,1-dimethoxypent-2-ene?
The canonical SMILES for (E)-5-[(E)-5,5-dimethoxypent-3-enoxy]-1,1-dimethoxypent-2-ene is COC(/C=C/CCOCC/C=C/C(OC)OC)OC.
What is the InChIKey of (E)-5-[(E)-5,5-dimethoxypent-3-enoxy]-1,1-dimethoxypent-2-ene?
The InChIKey is HQWHSQHHRMZYEX-NXZHAISVSA-N. The full InChI is InChI=1S/C14H26O5/c1-15-13(16-2)9-5-7-11-19-12-8-6-10-14(17-3)18-4/h5-6,9-10,13-14H,7-8,11-12H2,1-4H3/b9-5+,10-6+.
What are the key properties of (E)-5-[(E)-5,5-dimethoxypent-3-enoxy]-1,1-dimethoxypent-2-ene?
(E)-5-[(E)-5,5-dimethoxypent-3-enoxy]-1,1-dimethoxypent-2-ene has a molecular weight of 274.36 g/mol, XLogP of 2.13, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-[(E)-5,5-dimethoxypent-3-enoxy]-1,1-dimethoxypent-2-ene is sourced from PubChem (CID 135359007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).