butan-1-ol;ethenoxyethene

C8H16O2 — CID 19381526

IUPACbutan-1-ol;ethenoxyethene
SMILESC=COC=C.CCCCO
InChIInChI=1S/C4H6O.C4H10O/c1-3-5-4-2;1-2-3-4-5/h3-4H,1-2H2;5H,2-4H2,1H3
InChIKeyYPZQTMDPFMQWOA-UHFFFAOYSA-N
MW144.21 g/mol
LogP2.07
Rot. Bonds4

About butan-1-ol;ethenoxyethene

butan-1-ol;ethenoxyethene (PubChem CID 19381526) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is butan-1-ol;ethenoxyethene.

Molecular Properties

Compound Namebutan-1-ol;ethenoxyethene
PubChem CID19381526
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Namebutan-1-ol;ethenoxyethene
SMILESC=COC=C.CCCCO
InChIInChI=1S/C4H6O.C4H10O/c1-3-5-4-2;1-2-3-4-5/h3-4H,1-2H2;5H,2-4H2,1H3
InChIKeyYPZQTMDPFMQWOA-UHFFFAOYSA-N
XLogP2.07
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 butan-1-ol;ethenoxyethene?
The IUPAC name of butan-1-ol;ethenoxyethene (CID 19381526) is butan-1-ol;ethenoxyethene.
What is the SMILES notation for butan-1-ol;ethenoxyethene?
The canonical SMILES for butan-1-ol;ethenoxyethene is C=COC=C.CCCCO.
What is the InChIKey of butan-1-ol;ethenoxyethene?
The InChIKey is YPZQTMDPFMQWOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O.C4H10O/c1-3-5-4-2;1-2-3-4-5/h3-4H,1-2H2;5H,2-4H2,1H3.
What are the key properties of butan-1-ol;ethenoxyethene?
butan-1-ol;ethenoxyethene has a molecular weight of 144.21 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butan-1-ol;ethenoxyethene is sourced from PubChem (CID 19381526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).