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

C8H16O3 — CID 11480606

IUPAC(E)-5,5,5-trimethoxypent-2-ene
SMILESC/C=C/CC(OC)(OC)OC
InChIInChI=1S/C8H16O3/c1-5-6-7-8(9-2,10-3)11-4/h5-6H,7H2,1-4H3/b6-5+
InChIKeyFIHJTAUOKKDJFA-AATRIKPKSA-N
MW160.21 g/mol
LogP1.55
Rot. Bonds5

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

(E)-5,5,5-trimethoxypent-2-ene (PubChem CID 11480606) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is (E)-5,5,5-trimethoxypent-2-ene.

Molecular Properties

Compound Name(E)-5,5,5-trimethoxypent-2-ene
PubChem CID11480606
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name(E)-5,5,5-trimethoxypent-2-ene
SMILESC/C=C/CC(OC)(OC)OC
InChIInChI=1S/C8H16O3/c1-5-6-7-8(9-2,10-3)11-4/h5-6H,7H2,1-4H3/b6-5+
InChIKeyFIHJTAUOKKDJFA-AATRIKPKSA-N
XLogP1.55
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-5,5,5-trimethoxypent-2-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Acetaldehyde ethyl (Z)-3-hexenyl acetal
CID 5366352
3-Hexene, 1,1-diethoxy-, (3Z)-
CID 5364291
3-Hexene, 1-(1-ethoxyethoxy)-, (E)-
CID 5463962
Hex-3-en-1-yl methyl carbonate, (3Z)-
CID 5365699
3-Hexene, 1,1'-[ethylidenebis(oxy)]bis-, (3Z,3'Z)-
CID 113198
Acetaldehyde di-cis-3-hexenyl acetal
CID 5367767
1,1-Diethoxyhex-3-ene
CID 166431
3-Hexene, 1-(1-methoxypropoxy)-, (3E)-
CID 6366609
3-Hexene, 1-(1-methoxypropoxy)-, (3Z)-
CID 20836345
(3Z,3'Z,3''Z)-1,1',1''-[Ethylidynetris(oxy)]tris[3-hexene]
CID 92033997
3-Hexen-1-ol, 1,1a(2)-carbonate (2:1), (3Z,3a(2)Z)-
CID 156622772
Ethyl (Z)-hex-3-enyl carbonate
CID 11745090

Frequently Asked Questions

What is the IUPAC name of (E)-5,5,5-trimethoxypent-2-ene?
The IUPAC name of (E)-5,5,5-trimethoxypent-2-ene (CID 11480606) is (E)-5,5,5-trimethoxypent-2-ene.
What is the SMILES notation for (E)-5,5,5-trimethoxypent-2-ene?
The canonical SMILES for (E)-5,5,5-trimethoxypent-2-ene is C/C=C/CC(OC)(OC)OC.
What is the InChIKey of (E)-5,5,5-trimethoxypent-2-ene?
The InChIKey is FIHJTAUOKKDJFA-AATRIKPKSA-N. The full InChI is InChI=1S/C8H16O3/c1-5-6-7-8(9-2,10-3)11-4/h5-6H,7H2,1-4H3/b6-5+.
What are the key properties of (E)-5,5,5-trimethoxypent-2-ene?
(E)-5,5,5-trimethoxypent-2-ene has a molecular weight of 160.21 g/mol, XLogP of 1.55, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5,5,5-trimethoxypent-2-ene is sourced from PubChem (CID 11480606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).