ethane-1,2-diol;prop-1-en-2-ol

C5H12O3 — CID 87135468

IUPACethane-1,2-diol;prop-1-en-2-ol
SMILESC=C(C)O.OCCO
InChIInChI=1S/C3H6O.C2H6O2/c1-3(2)4;3-1-2-4/h4H,1H2,2H3;3-4H,1-2H2
InChIKeyHRUCBTTTZNQHMO-UHFFFAOYSA-N
MW120.15 g/mol
LogP0.05
Rot. Bonds1

About ethane-1,2-diol;prop-1-en-2-ol

ethane-1,2-diol;prop-1-en-2-ol (PubChem CID 87135468) has the molecular formula C5H12O3 and a molecular weight of 120.15 g/mol. Its IUPAC name is ethane-1,2-diol;prop-1-en-2-ol.

Molecular Properties

Compound Nameethane-1,2-diol;prop-1-en-2-ol
PubChem CID87135468
Molecular FormulaC5H12O3
Molecular Weight120.15 g/mol
Exact Mass120.08
IUPAC Nameethane-1,2-diol;prop-1-en-2-ol
SMILESC=C(C)O.OCCO
InChIInChI=1S/C3H6O.C2H6O2/c1-3(2)4;3-1-2-4/h4H,1H2,2H3;3-4H,1-2H2
InChIKeyHRUCBTTTZNQHMO-UHFFFAOYSA-N
XLogP0.05
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.15
LogP ≤ 50.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tetrakis(ethane-1,2-diol);2-methylprop-1-ene
CID 173101980
ethane-1,2-diol;bis(2-methylprop-1-ene)
CID 158620433
bis(ethane-1,2-diol);ethene;2-methylprop-2-enoic acid
CID 173395438
2,2-dimethylpropane;ethane-1,2-diol;bis(2-methylprop-2-enoic acid)
CID 174523782
manganese;bis(prop-1-en-2-ol);yttrium
CID 21040249
ethane-1,2-diol;bis(2-methylprop-2-enoic acid);tetrakis(prop-1-ene)
CID 174760131
ethane-1,2-diol;ethene
CID 173008703
(ethane-1,2-diol);ethene
CID 173372663
bis(ethane-1,2-diol);2-methylprop-2-enoic acid;prop-2-enoic acid
CID 173402530
ethane-1,2-diol;prop-1-en-2-ylbenzene
CID 68647860
bis(ethane-1,2-diol);bis(propan-2-one)
CID 158462178
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CID 173068798

Frequently Asked Questions

What is the IUPAC name of ethane-1,2-diol;prop-1-en-2-ol?
The IUPAC name of ethane-1,2-diol;prop-1-en-2-ol (CID 87135468) is ethane-1,2-diol;prop-1-en-2-ol.
What is the SMILES notation for ethane-1,2-diol;prop-1-en-2-ol?
The canonical SMILES for ethane-1,2-diol;prop-1-en-2-ol is C=C(C)O.OCCO.
What is the InChIKey of ethane-1,2-diol;prop-1-en-2-ol?
The InChIKey is HRUCBTTTZNQHMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O.C2H6O2/c1-3(2)4;3-1-2-4/h4H,1H2,2H3;3-4H,1-2H2.
What are the key properties of ethane-1,2-diol;prop-1-en-2-ol?
ethane-1,2-diol;prop-1-en-2-ol has a molecular weight of 120.15 g/mol, XLogP of 0.05, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane-1,2-diol;prop-1-en-2-ol is sourced from PubChem (CID 87135468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).