1,4-Butanediol diglycidyl ether

C10H18O4 — CID 17046

IUPAC2-[4-(oxiran-2-ylmethoxy)butoxymethyl]oxirane
SMILESC1C(O1)COCCCCOCC2CO2
InChIInChI=1S/C10H18O4/c1(3-11-5-9-7-13-9)2-4-12-6-10-8-14-10/h9-10H,1-8H2
InChIKeySHKUUQIDMUMQQK-UHFFFAOYSA-N
MW202.25 g/mol
LogP0.00
Rot. Bonds9

About 1,4-Butanediol diglycidyl ether

1,4-Butanediol diglycidyl ether (PubChem CID 17046) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is 2-[4-(oxiran-2-ylmethoxy)butoxymethyl]oxirane.

Molecular Properties

Compound Name1,4-Butanediol diglycidyl ether
PubChem CID17046
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Name2-[4-(oxiran-2-ylmethoxy)butoxymethyl]oxirane
SMILESC1C(O1)COCCCCOCC2CO2
InChIInChI=1S/C10H18O4/c1(3-11-5-9-7-13-9)2-4-12-6-10-8-14-10/h9-10H,1-8H2
InChIKeySHKUUQIDMUMQQK-UHFFFAOYSA-N
XLogP0.00
TPSA43.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms14
Complexity144

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 50.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 1,4-Butanediol diglycidyl ether 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

Triethylene Glycol Diglycidyl Ether
CID 16058
Glycol diglycidyl ether
CID 16683
Triglycidylglycerol
CID 25795
Diethylene glycol diglycidyl ether
CID 351024
2,2'-(Oxybis((methyl-2,1-ethanediyl)oxymethylene))bis(oxirane)
CID 3034475
1,6-Hexanediol diglycidyl ether
CID 85960
1,3-Bis(2,3-epoxypropoxy)butane
CID 97961
Propylene glycol diglycidyl ether homopolymer
CID 85959
Bis(3,4-epoxybutyl) ether
CID 25405
Oxirane, 2,2'-(2,5,8,11,14-pentaoxapentadecane-1,15-diyl)bis-
CID 86596
Oxirane, 2,2'-[1,3-propanediylbis(oxymethylene)]bis-
CID 3081505
2,3-Bis(ethoxymethyl)oxirane
CID 260926

Frequently Asked Questions

What is the IUPAC name of 1,4-Butanediol diglycidyl ether?
The IUPAC name of 1,4-Butanediol diglycidyl ether (CID 17046) is 2-[4-(oxiran-2-ylmethoxy)butoxymethyl]oxirane.
What is the SMILES notation for 1,4-Butanediol diglycidyl ether?
The canonical SMILES for 1,4-Butanediol diglycidyl ether is C1C(O1)COCCCCOCC2CO2.
What is the InChIKey of 1,4-Butanediol diglycidyl ether?
The InChIKey is SHKUUQIDMUMQQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4/c1(3-11-5-9-7-13-9)2-4-12-6-10-8-14-10/h9-10H,1-8H2.
What are the key properties of 1,4-Butanediol diglycidyl ether?
1,4-Butanediol diglycidyl ether has a molecular weight of 202.25 g/mol, XLogP of 0.00, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-Butanediol diglycidyl ether is sourced from PubChem (CID 17046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).