butane-1,3-diol;3-prop-2-enoxyprop-1-ene

C10H20O3 — CID 22165027

IUPACbutane-1,3-diol;3-prop-2-enoxyprop-1-ene
SMILESC=CCOCC=C.CC(O)CCO
InChIInChI=1S/C6H10O.C4H10O2/c1-3-5-7-6-4-2;1-4(6)2-3-5/h3-4H,1-2,5-6H2;4-6H,2-3H2,1H3
InChIKeyMBZXKSFAUDJBTM-UHFFFAOYSA-N
MW188.27 g/mol
LogP1.12
Rot. Bonds6

About butane-1,3-diol;3-prop-2-enoxyprop-1-ene

butane-1,3-diol;3-prop-2-enoxyprop-1-ene (PubChem CID 22165027) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is butane-1,3-diol;3-prop-2-enoxyprop-1-ene.

Molecular Properties

Compound Namebutane-1,3-diol;3-prop-2-enoxyprop-1-ene
PubChem CID22165027
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Namebutane-1,3-diol;3-prop-2-enoxyprop-1-ene
SMILESC=CCOCC=C.CC(O)CCO
InChIInChI=1S/C6H10O.C4H10O2/c1-3-5-7-6-4-2;1-4(6)2-3-5/h3-4H,1-2,5-6H2;4-6H,2-3H2,1H3
InChIKeyMBZXKSFAUDJBTM-UHFFFAOYSA-N
XLogP1.12
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

butane-1,3-diol
CID 159666523
2-hydroxypropanethioic S-acid;3-prop-2-enoxyprop-1-ene
CID 86631788
butane-1,3-diol;ethanol
CID 88835658
sodium;hydride;propane-1,2,3-triol;3-prop-2-enoxyprop-1-ene
CID 173191525
ethane-1,2-diol;3-methyl-1-prop-2-enoxybutane
CID 174750448
butane-1,3-diol;butane-1,4-diol
CID 18381145
3-methoxyprop-1-ene;3-methylbutan-1-ol
CID 87580492
2-(prop-2-enoxymethyl)butane-1,4-diol
CID 141296364
3,5-dimethyl-1,7-bis(prop-2-enoxy)heptan-4-ol
CID 166514996
CID 87625662
CID 87625662
tris(prop-1-ene);3-prop-2-enoxyprop-1-ene
CID 175414947
Potassium allyloxide
CID 87828396

Frequently Asked Questions

What is the IUPAC name of butane-1,3-diol;3-prop-2-enoxyprop-1-ene?
The IUPAC name of butane-1,3-diol;3-prop-2-enoxyprop-1-ene (CID 22165027) is butane-1,3-diol;3-prop-2-enoxyprop-1-ene.
What is the SMILES notation for butane-1,3-diol;3-prop-2-enoxyprop-1-ene?
The canonical SMILES for butane-1,3-diol;3-prop-2-enoxyprop-1-ene is C=CCOCC=C.CC(O)CCO.
What is the InChIKey of butane-1,3-diol;3-prop-2-enoxyprop-1-ene?
The InChIKey is MBZXKSFAUDJBTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O.C4H10O2/c1-3-5-7-6-4-2;1-4(6)2-3-5/h3-4H,1-2,5-6H2;4-6H,2-3H2,1H3.
What are the key properties of butane-1,3-diol;3-prop-2-enoxyprop-1-ene?
butane-1,3-diol;3-prop-2-enoxyprop-1-ene has a molecular weight of 188.27 g/mol, XLogP of 1.12, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butane-1,3-diol;3-prop-2-enoxyprop-1-ene is sourced from PubChem (CID 22165027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).