1,1-dimethoxy-5-(methoxymethoxy)pent-2-ene

C9H18O4 — CID 90802171

IUPAC1,1-dimethoxy-5-(methoxymethoxy)pent-2-ene
SMILESCOCOCCC=CC(OC)OC
InChIInChI=1S/C9H18O4/c1-10-8-13-7-5-4-6-9(11-2)12-3/h4,6,9H,5,7-8H2,1-3H3
InChIKeyYUTCSYCAZQSVGC-UHFFFAOYSA-N
MW190.24 g/mol
LogP1.17
Rot. Bonds8

About 1,1-dimethoxy-5-(methoxymethoxy)pent-2-ene

1,1-dimethoxy-5-(methoxymethoxy)pent-2-ene (PubChem CID 90802171) has the molecular formula C9H18O4 and a molecular weight of 190.24 g/mol. Its IUPAC name is 1,1-dimethoxy-5-(methoxymethoxy)pent-2-ene.

Molecular Properties

Compound Name1,1-dimethoxy-5-(methoxymethoxy)pent-2-ene
PubChem CID90802171
Molecular FormulaC9H18O4
Molecular Weight190.24 g/mol
Exact Mass190.12
IUPAC Name1,1-dimethoxy-5-(methoxymethoxy)pent-2-ene
SMILESCOCOCCC=CC(OC)OC
InChIInChI=1S/C9H18O4/c1-10-8-13-7-5-4-6-9(11-2)12-3/h4,6,9H,5,7-8H2,1-3H3
InChIKeyYUTCSYCAZQSVGC-UHFFFAOYSA-N
XLogP1.17
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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'}

Analyze 1,1-dimethoxy-5-(methoxymethoxy)pent-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

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethoxy-5-(methoxymethoxy)pent-2-ene?
The IUPAC name of 1,1-dimethoxy-5-(methoxymethoxy)pent-2-ene (CID 90802171) is 1,1-dimethoxy-5-(methoxymethoxy)pent-2-ene.
What is the SMILES notation for 1,1-dimethoxy-5-(methoxymethoxy)pent-2-ene?
The canonical SMILES for 1,1-dimethoxy-5-(methoxymethoxy)pent-2-ene is COCOCCC=CC(OC)OC.
What is the InChIKey of 1,1-dimethoxy-5-(methoxymethoxy)pent-2-ene?
The InChIKey is YUTCSYCAZQSVGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O4/c1-10-8-13-7-5-4-6-9(11-2)12-3/h4,6,9H,5,7-8H2,1-3H3.
What are the key properties of 1,1-dimethoxy-5-(methoxymethoxy)pent-2-ene?
1,1-dimethoxy-5-(methoxymethoxy)pent-2-ene has a molecular weight of 190.24 g/mol, XLogP of 1.17, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethoxy-5-(methoxymethoxy)pent-2-ene is sourced from PubChem (CID 90802171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).