1,4-dioxan-2-ol;prop-1-ene

C7H14O3 — CID 161403579

IUPAC1,4-dioxan-2-ol;prop-1-ene
SMILESC=CC.OC1COCCO1
InChIInChI=1S/C4H8O3.C3H6/c5-4-3-6-1-2-7-4;1-3-2/h4-5H,1-3H2;3H,1H2,2H3
InChIKeyVUNWRNLVPIPKRW-UHFFFAOYSA-N
MW146.19 g/mol
LogP0.54
Rot. Bonds

About 1,4-dioxan-2-ol;prop-1-ene

1,4-dioxan-2-ol;prop-1-ene (PubChem CID 161403579) has the molecular formula C7H14O3 and a molecular weight of 146.19 g/mol. Its IUPAC name is 1,4-dioxan-2-ol;prop-1-ene.

Molecular Properties

Compound Name1,4-dioxan-2-ol;prop-1-ene
PubChem CID161403579
Molecular FormulaC7H14O3
Molecular Weight146.19 g/mol
Exact Mass146.09
IUPAC Name1,4-dioxan-2-ol;prop-1-ene
SMILESC=CC.OC1COCCO1
InChIInChI=1S/C4H8O3.C3H6/c5-4-3-6-1-2-7-4;1-3-2/h4-5H,1-3H2;3H,1H2,2H3
InChIKeyVUNWRNLVPIPKRW-UHFFFAOYSA-N
XLogP0.54
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyloxirane;bis(prop-1-ene)
CID 157154960
2-ethenyl-1,4,7,10,13,16-hexaoxacyclooctadecane
CID 58827418
ethane;2-methyloxirane;prop-1-ene
CID 159933828
2-prop-1-en-2-yl-1,4-dioxane
CID 178036695
2-(1-chloroethenyl)-1,4-dioxane;hydron
CID 174261802
(2R,5R)-1,4-dioxane-2,5-diol
CID 7269377
oxetan-2-ol
CID 175273147
acetic acid;1,4,7,10,13,16-hexaoxacyclononadecan-18-ol
CID 71403215
3,6,9,12,15,18,21,24-octaoxabicyclo[12.10.0]tetracosane
CID 552594
ethane;(3R)-oxolan-3-ol
CID 145226146
ethane;(2R)-2-methyl-1,4-dioxane
CID 145396958
ethane;2-methyl-1,4-dioxane
CID 91216849

Frequently Asked Questions

What is the IUPAC name of 1,4-dioxan-2-ol;prop-1-ene?
The IUPAC name of 1,4-dioxan-2-ol;prop-1-ene (CID 161403579) is 1,4-dioxan-2-ol;prop-1-ene.
What is the SMILES notation for 1,4-dioxan-2-ol;prop-1-ene?
The canonical SMILES for 1,4-dioxan-2-ol;prop-1-ene is C=CC.OC1COCCO1.
What is the InChIKey of 1,4-dioxan-2-ol;prop-1-ene?
The InChIKey is VUNWRNLVPIPKRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O3.C3H6/c5-4-3-6-1-2-7-4;1-3-2/h4-5H,1-3H2;3H,1H2,2H3.
What are the key properties of 1,4-dioxan-2-ol;prop-1-ene?
1,4-dioxan-2-ol;prop-1-ene has a molecular weight of 146.19 g/mol, XLogP of 0.54, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioxan-2-ol;prop-1-ene is sourced from PubChem (CID 161403579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).