(E)-1,4-dimethoxypent-2-ene

C7H14O2 — CID 13244906

IUPAC(E)-1,4-dimethoxypent-2-ene
SMILESCOC/C=C/C(C)OC
InChIInChI=1S/C7H14O2/c1-7(9-3)5-4-6-8-2/h4-5,7H,6H2,1-3H3/b5-4+
InChIKeyJFUXVMOSMBGSQO-SNAWJCMRSA-N
MW130.19 g/mol
LogP1.22
Rot. Bonds4

About (E)-1,4-dimethoxypent-2-ene

(E)-1,4-dimethoxypent-2-ene (PubChem CID 13244906) has the molecular formula C7H14O2 and a molecular weight of 130.19 g/mol. Its IUPAC name is (E)-1,4-dimethoxypent-2-ene.

Molecular Properties

Compound Name(E)-1,4-dimethoxypent-2-ene
PubChem CID13244906
Molecular FormulaC7H14O2
Molecular Weight130.19 g/mol
Exact Mass130.10
IUPAC Name(E)-1,4-dimethoxypent-2-ene
SMILESCOC/C=C/C(C)OC
InChIInChI=1S/C7H14O2/c1-7(9-3)5-4-6-8-2/h4-5,7H,6H2,1-3H3/b5-4+
InChIKeyJFUXVMOSMBGSQO-SNAWJCMRSA-N
XLogP1.22
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-1,4-dimethoxypent-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

2-Ethoxyhexa-3,5-diene
CID 5352776
2-Methoxypentene-4
CID 5367912
7-Methoxycycloheptatriene
CID 137170
2,5-Dihydro-2,5-dimethylfuran
CID 557796
3-Methoxy-1-cyclopentene
CID 142383
1-Methoxy-2-hexene
CID 5366215
6-Methyl-3,6-dihydro-2H-pyran
CID 521593
2-Pentene, 4-methoxy-2-methyl-
CID 11029801
2-Ethyl-5,6-dihydro-2h-pyran
CID 12536731
3,6-Dimethyl-3,6-dihydro-1,2-dioxine
CID 13130002
1-Methoxyhex-2-ene
CID 41696
2-Ethoxy-3,5-hexadiene
CID 180560

Frequently Asked Questions

What is the IUPAC name of (E)-1,4-dimethoxypent-2-ene?
The IUPAC name of (E)-1,4-dimethoxypent-2-ene (CID 13244906) is (E)-1,4-dimethoxypent-2-ene.
What is the SMILES notation for (E)-1,4-dimethoxypent-2-ene?
The canonical SMILES for (E)-1,4-dimethoxypent-2-ene is COC/C=C/C(C)OC.
What is the InChIKey of (E)-1,4-dimethoxypent-2-ene?
The InChIKey is JFUXVMOSMBGSQO-SNAWJCMRSA-N. The full InChI is InChI=1S/C7H14O2/c1-7(9-3)5-4-6-8-2/h4-5,7H,6H2,1-3H3/b5-4+.
What are the key properties of (E)-1,4-dimethoxypent-2-ene?
(E)-1,4-dimethoxypent-2-ene has a molecular weight of 130.19 g/mol, XLogP of 1.22, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,4-dimethoxypent-2-ene is sourced from PubChem (CID 13244906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).