5,5-diethoxy-3-methylidenepent-1-ene

C10H18O2 — CID 15410371

IUPAC5,5-diethoxy-3-methylidenepent-1-ene
SMILESC=CC(=C)CC(OCC)OCC
InChIInChI=1S/C10H18O2/c1-5-9(4)8-10(11-6-2)12-7-3/h5,10H,1,4,6-8H2,2-3H3
InChIKeyLJFAKRYWAYDRJR-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.52
Rot. Bonds7

About 5,5-diethoxy-3-methylidenepent-1-ene

5,5-diethoxy-3-methylidenepent-1-ene (PubChem CID 15410371) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 5,5-diethoxy-3-methylidenepent-1-ene.

Molecular Properties

Compound Name5,5-diethoxy-3-methylidenepent-1-ene
PubChem CID15410371
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name5,5-diethoxy-3-methylidenepent-1-ene
SMILESC=CC(=C)CC(OCC)OCC
InChIInChI=1S/C10H18O2/c1-5-9(4)8-10(11-6-2)12-7-3/h5,10H,1,4,6-8H2,2-3H3
InChIKeyLJFAKRYWAYDRJR-UHFFFAOYSA-N
XLogP2.52
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5,5-diethoxy-3-methylidenepent-1-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 5,5-diethoxy-3-methylidenepent-1-ene?
The IUPAC name of 5,5-diethoxy-3-methylidenepent-1-ene (CID 15410371) is 5,5-diethoxy-3-methylidenepent-1-ene.
What is the SMILES notation for 5,5-diethoxy-3-methylidenepent-1-ene?
The canonical SMILES for 5,5-diethoxy-3-methylidenepent-1-ene is C=CC(=C)CC(OCC)OCC.
What is the InChIKey of 5,5-diethoxy-3-methylidenepent-1-ene?
The InChIKey is LJFAKRYWAYDRJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-5-9(4)8-10(11-6-2)12-7-3/h5,10H,1,4,6-8H2,2-3H3.
What are the key properties of 5,5-diethoxy-3-methylidenepent-1-ene?
5,5-diethoxy-3-methylidenepent-1-ene has a molecular weight of 170.25 g/mol, XLogP of 2.52, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-diethoxy-3-methylidenepent-1-ene is sourced from PubChem (CID 15410371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).