but-1-ene-1,4-diol;but-2-en-1-ol

C8H16O3 — CID 158091498

IUPACbut-1-ene-1,4-diol;but-2-en-1-ol
SMILESCC=CCO.OC=CCCO
InChIInChI=1S/C4H8O2.C4H8O/c5-3-1-2-4-6;1-2-3-4-5/h1,3,5-6H,2,4H2;2-3,5H,4H2,1H3
InChIKeyFODRGTIDXNXXMN-UHFFFAOYSA-N
MW160.21 g/mol
LogP1.00
Rot. Bonds3

About but-1-ene-1,4-diol;but-2-en-1-ol

but-1-ene-1,4-diol;but-2-en-1-ol (PubChem CID 158091498) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is but-1-ene-1,4-diol;but-2-en-1-ol.

Molecular Properties

Compound Namebut-1-ene-1,4-diol;but-2-en-1-ol
PubChem CID158091498
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Namebut-1-ene-1,4-diol;but-2-en-1-ol
SMILESCC=CCO.OC=CCCO
InChIInChI=1S/C4H8O2.C4H8O/c5-3-1-2-4-6;1-2-3-4-5/h1,3,5-6H,2,4H2;2-3,5H,4H2,1H3
InChIKeyFODRGTIDXNXXMN-UHFFFAOYSA-N
XLogP1.00
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of but-1-ene-1,4-diol;but-2-en-1-ol?
The IUPAC name of but-1-ene-1,4-diol;but-2-en-1-ol (CID 158091498) is but-1-ene-1,4-diol;but-2-en-1-ol.
What is the SMILES notation for but-1-ene-1,4-diol;but-2-en-1-ol?
The canonical SMILES for but-1-ene-1,4-diol;but-2-en-1-ol is CC=CCO.OC=CCCO.
What is the InChIKey of but-1-ene-1,4-diol;but-2-en-1-ol?
The InChIKey is FODRGTIDXNXXMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O2.C4H8O/c5-3-1-2-4-6;1-2-3-4-5/h1,3,5-6H,2,4H2;2-3,5H,4H2,1H3.
What are the key properties of but-1-ene-1,4-diol;but-2-en-1-ol?
but-1-ene-1,4-diol;but-2-en-1-ol has a molecular weight of 160.21 g/mol, XLogP of 1.00, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for but-1-ene-1,4-diol;but-2-en-1-ol is sourced from PubChem (CID 158091498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).