1,7-bis(ethenoxy)decane

C14H26O2 — CID 139909504

IUPAC1,7-bis(ethenoxy)decane
SMILESC=COCCCCCCC(CCC)OC=C
InChIInChI=1S/C14H26O2/c1-4-11-14(16-6-3)12-9-7-8-10-13-15-5-2/h5-6,14H,2-4,7-13H2,1H3
InChIKeyGRZQJTRMTFPQFS-UHFFFAOYSA-N
MW226.36 g/mol
LogP4.43
Rot. Bonds12

About 1,7-bis(ethenoxy)decane

1,7-bis(ethenoxy)decane (PubChem CID 139909504) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is 1,7-bis(ethenoxy)decane.

Molecular Properties

Compound Name1,7-bis(ethenoxy)decane
PubChem CID139909504
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name1,7-bis(ethenoxy)decane
SMILESC=COCCCCCCC(CCC)OC=C
InChIInChI=1S/C14H26O2/c1-4-11-14(16-6-3)12-9-7-8-10-13-15-5-2/h5-6,14H,2-4,7-13H2,1H3
InChIKeyGRZQJTRMTFPQFS-UHFFFAOYSA-N
XLogP4.43
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1,7-bis(ethenoxy)decane 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

Octadecyl vinyl ether
CID 13585
Decane, 1-(ethenyloxy)-
CID 12999
Lauryl vinyl ether
CID 69826
Cetyl vinyl ether
CID 69971
1-(Vinyloxy)octane
CID 70249
Nonane, 1-(ethenyloxy)-
CID 11240733
1-(Ethenyloxy)heptane
CID 14454735
1,12-Bis(ethenoxy)octadecane
CID 301650
1-[(E)-2-fluoroethenoxy]dodecane
CID 121408637
Heptane, 1,7-bis(ethenyloxy)-
CID 11528469
1-(Ethenyloxy)icosane
CID 14454740
Undecanyl vinyl ether
CID 14647796

Frequently Asked Questions

What is the IUPAC name of 1,7-bis(ethenoxy)decane?
The IUPAC name of 1,7-bis(ethenoxy)decane (CID 139909504) is 1,7-bis(ethenoxy)decane.
What is the SMILES notation for 1,7-bis(ethenoxy)decane?
The canonical SMILES for 1,7-bis(ethenoxy)decane is C=COCCCCCCC(CCC)OC=C.
What is the InChIKey of 1,7-bis(ethenoxy)decane?
The InChIKey is GRZQJTRMTFPQFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2/c1-4-11-14(16-6-3)12-9-7-8-10-13-15-5-2/h5-6,14H,2-4,7-13H2,1H3.
What are the key properties of 1,7-bis(ethenoxy)decane?
1,7-bis(ethenoxy)decane has a molecular weight of 226.36 g/mol, XLogP of 4.43, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-bis(ethenoxy)decane is sourced from PubChem (CID 139909504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).