butane-1,4-diol;ethenyl butanoate

C10H20O4 — CID 159135877

IUPACbutane-1,4-diol;ethenyl butanoate
SMILESC=COC(=O)CCC.OCCCCO
InChIInChI=1S/C6H10O2.C4H10O2/c1-3-5-6(7)8-4-2;5-3-1-2-4-6/h4H,2-3,5H2,1H3;5-6H,1-4H2
InChIKeyKHMGLPDTBPIZDV-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.22
Rot. Bonds6

About butane-1,4-diol;ethenyl butanoate

butane-1,4-diol;ethenyl butanoate (PubChem CID 159135877) has the molecular formula C10H20O4 and a molecular weight of 204.27 g/mol. Its IUPAC name is butane-1,4-diol;ethenyl butanoate.

Molecular Properties

Compound Namebutane-1,4-diol;ethenyl butanoate
PubChem CID159135877
Molecular FormulaC10H20O4
Molecular Weight204.27 g/mol
Exact Mass204.14
IUPAC Namebutane-1,4-diol;ethenyl butanoate
SMILESC=COC(=O)CCC.OCCCCO
InChIInChI=1S/C6H10O2.C4H10O2/c1-3-5-6(7)8-4-2;5-3-1-2-4-6/h4H,2-3,5H2,1H3;5-6H,1-4H2
InChIKeyKHMGLPDTBPIZDV-UHFFFAOYSA-N
XLogP1.22
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethanol;ethenyl butanoate
CID 87410894
ethenyl 16-hydroxyhexadecanoate
CID 88593683
ethenyl 6-hydroxyhexanoate
CID 88593109
ethenyl butanoate;ethenyl octadecanoate
CID 161122383
ethenyl butanoate;prop-2-enal
CID 174800304
ethenyl heptatriacontanoate
CID 139682782
ethenyl octacosanoate
CID 54439588
ethenyl tetracontanoate
CID 139682936
ethenyl henpentacontanoate
CID 139683011
ethenyl pentanoate;methoxyethene
CID 174843256
bis(ethenyl) hexanedioate
CID 19997
ethenyl 3-oxohexanoate
CID 57170487

Frequently Asked Questions

What is the IUPAC name of butane-1,4-diol;ethenyl butanoate?
The IUPAC name of butane-1,4-diol;ethenyl butanoate (CID 159135877) is butane-1,4-diol;ethenyl butanoate.
What is the SMILES notation for butane-1,4-diol;ethenyl butanoate?
The canonical SMILES for butane-1,4-diol;ethenyl butanoate is C=COC(=O)CCC.OCCCCO.
What is the InChIKey of butane-1,4-diol;ethenyl butanoate?
The InChIKey is KHMGLPDTBPIZDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2.C4H10O2/c1-3-5-6(7)8-4-2;5-3-1-2-4-6/h4H,2-3,5H2,1H3;5-6H,1-4H2.
What are the key properties of butane-1,4-diol;ethenyl butanoate?
butane-1,4-diol;ethenyl butanoate has a molecular weight of 204.27 g/mol, XLogP of 1.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butane-1,4-diol;ethenyl butanoate is sourced from PubChem (CID 159135877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).