butane-2,3-diol;ethenoxyethene

C8H16O3 — CID 23505083

IUPACbutane-2,3-diol;ethenoxyethene
SMILESC=COC=C.CC(O)C(C)O
InChIInChI=1S/C4H10O2.C4H6O/c1-3(5)4(2)6;1-3-5-4-2/h3-6H,1-2H3;3-4H,1-2H2
InChIKeyISOCJNVBVLPXED-UHFFFAOYSA-N
MW160.21 g/mol
LogP1.04
Rot. Bonds3

About butane-2,3-diol;ethenoxyethene

butane-2,3-diol;ethenoxyethene (PubChem CID 23505083) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is butane-2,3-diol;ethenoxyethene.

Molecular Properties

Compound Namebutane-2,3-diol;ethenoxyethene
PubChem CID23505083
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Namebutane-2,3-diol;ethenoxyethene
SMILESC=COC=C.CC(O)C(C)O
InChIInChI=1S/C4H10O2.C4H6O/c1-3(5)4(2)6;1-3-5-4-2/h3-6H,1-2H3;3-4H,1-2H2
InChIKeyISOCJNVBVLPXED-UHFFFAOYSA-N
XLogP1.04
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of butane-2,3-diol;ethenoxyethene?
The IUPAC name of butane-2,3-diol;ethenoxyethene (CID 23505083) is butane-2,3-diol;ethenoxyethene.
What is the SMILES notation for butane-2,3-diol;ethenoxyethene?
The canonical SMILES for butane-2,3-diol;ethenoxyethene is C=COC=C.CC(O)C(C)O.
What is the InChIKey of butane-2,3-diol;ethenoxyethene?
The InChIKey is ISOCJNVBVLPXED-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O2.C4H6O/c1-3(5)4(2)6;1-3-5-4-2/h3-6H,1-2H3;3-4H,1-2H2.
What are the key properties of butane-2,3-diol;ethenoxyethene?
butane-2,3-diol;ethenoxyethene has a molecular weight of 160.21 g/mol, XLogP of 1.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butane-2,3-diol;ethenoxyethene is sourced from PubChem (CID 23505083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).