butan-1-ol;ethane-1,2-diol;ethene

C8H20O3 — CID 87220832

IUPACbutan-1-ol;ethane-1,2-diol;ethene
SMILESC=C.CCCCO.OCCO
InChIInChI=1S/C4H10O.C2H6O2.C2H4/c1-2-3-4-5;3-1-2-4;1-2/h5H,2-4H2,1H3;3-4H,1-2H2;1-2H2
InChIKeySNMOJGJDJIKHIJ-UHFFFAOYSA-N
MW164.24 g/mol
LogP0.55
Rot. Bonds3

About butan-1-ol;ethane-1,2-diol;ethene

butan-1-ol;ethane-1,2-diol;ethene (PubChem CID 87220832) has the molecular formula C8H20O3 and a molecular weight of 164.24 g/mol. Its IUPAC name is butan-1-ol;ethane-1,2-diol;ethene.

Molecular Properties

Compound Namebutan-1-ol;ethane-1,2-diol;ethene
PubChem CID87220832
Molecular FormulaC8H20O3
Molecular Weight164.24 g/mol
Exact Mass164.14
IUPAC Namebutan-1-ol;ethane-1,2-diol;ethene
SMILESC=C.CCCCO.OCCO
InChIInChI=1S/C4H10O.C2H6O2.C2H4/c1-2-3-4-5;3-1-2-4;1-2/h5H,2-4H2,1H3;3-4H,1-2H2;1-2H2
InChIKeySNMOJGJDJIKHIJ-UHFFFAOYSA-N
XLogP0.55
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.24
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

butan-1-ol
CID 20532113
(1,2,3,4-13C4)butan-1-ol
CID 71309697
sodium butan-1-ol
CID 19366054
butan-1-ol;nickel
CID 22477011
butane;butan-1-ol
CID 19774960
tris(butan-1-ol);zirconium
CID 25200102
butan-1-ol;cadmium
CID 154199105
butan-1-ol;methanol
CID 23065762
butan-1-ol;plumbane
CID 173408910
tetrakis(butan-1-ol);cerium
CID 87109841
pentakis(butan-1-ol);vanadium
CID 14228635
ethene;hexan-1-ol
CID 88694978

Frequently Asked Questions

What is the IUPAC name of butan-1-ol;ethane-1,2-diol;ethene?
The IUPAC name of butan-1-ol;ethane-1,2-diol;ethene (CID 87220832) is butan-1-ol;ethane-1,2-diol;ethene.
What is the SMILES notation for butan-1-ol;ethane-1,2-diol;ethene?
The canonical SMILES for butan-1-ol;ethane-1,2-diol;ethene is C=C.CCCCO.OCCO.
What is the InChIKey of butan-1-ol;ethane-1,2-diol;ethene?
The InChIKey is SNMOJGJDJIKHIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O.C2H6O2.C2H4/c1-2-3-4-5;3-1-2-4;1-2/h5H,2-4H2,1H3;3-4H,1-2H2;1-2H2.
What are the key properties of butan-1-ol;ethane-1,2-diol;ethene?
butan-1-ol;ethane-1,2-diol;ethene has a molecular weight of 164.24 g/mol, XLogP of 0.55, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butan-1-ol;ethane-1,2-diol;ethene is sourced from PubChem (CID 87220832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).