ethane-1,2-diol;ethene;propane-1,3-diol;propan-2-ol

C10H26O5 — CID 173152517

IUPACethane-1,2-diol;ethene;propane-1,3-diol;propan-2-ol
SMILESC=C.CC(C)O.OCCCO.OCCO
InChIInChI=1S/C3H8O2.C3H8O.C2H6O2.C2H4/c4-2-1-3-5;1-3(2)4;3-1-2-4;1-2/h4-5H,1-3H2;3-4H,1-2H3;3-4H,1-2H2;1-2H2
InChIKeyNLTIQZLWBGPDEG-UHFFFAOYSA-N
MW226.31 g/mol
LogP-0.48
Rot. Bonds3

About ethane-1,2-diol;ethene;propane-1,3-diol;propan-2-ol

ethane-1,2-diol;ethene;propane-1,3-diol;propan-2-ol (PubChem CID 173152517) has the molecular formula C10H26O5 and a molecular weight of 226.31 g/mol. Its IUPAC name is ethane-1,2-diol;ethene;propane-1,3-diol;propan-2-ol.

Molecular Properties

Compound Nameethane-1,2-diol;ethene;propane-1,3-diol;propan-2-ol
PubChem CID173152517
Molecular FormulaC10H26O5
Molecular Weight226.31 g/mol
Exact Mass226.18
IUPAC Nameethane-1,2-diol;ethene;propane-1,3-diol;propan-2-ol
SMILESC=C.CC(C)O.OCCCO.OCCO
InChIInChI=1S/C3H8O2.C3H8O.C2H6O2.C2H4/c4-2-1-3-5;1-3(2)4;3-1-2-4;1-2/h4-5H,1-3H2;3-4H,1-2H3;3-4H,1-2H2;1-2H2
InChIKeyNLTIQZLWBGPDEG-UHFFFAOYSA-N
XLogP-0.48
TPSA101.15 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.31
LogP ≤ 5-0.48
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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ethane-1,2-diol;propane-1,3-diol;bis(prop-1-ene)
CID 173377464
ethane-1,2-diol;propane-1,3-diol;prop-1-ene
CID 87614722
hexane-1,5-diol;propane-1,3-diol
CID 139532508
(ethane-1,2-diol);ethene
CID 173372663
ethane-1,2-diol;ethene
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CID 160644531

Frequently Asked Questions

What is the IUPAC name of ethane-1,2-diol;ethene;propane-1,3-diol;propan-2-ol?
The IUPAC name of ethane-1,2-diol;ethene;propane-1,3-diol;propan-2-ol (CID 173152517) is ethane-1,2-diol;ethene;propane-1,3-diol;propan-2-ol.
What is the SMILES notation for ethane-1,2-diol;ethene;propane-1,3-diol;propan-2-ol?
The canonical SMILES for ethane-1,2-diol;ethene;propane-1,3-diol;propan-2-ol is C=C.CC(C)O.OCCCO.OCCO.
What is the InChIKey of ethane-1,2-diol;ethene;propane-1,3-diol;propan-2-ol?
The InChIKey is NLTIQZLWBGPDEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8O2.C3H8O.C2H6O2.C2H4/c4-2-1-3-5;1-3(2)4;3-1-2-4;1-2/h4-5H,1-3H2;3-4H,1-2H3;3-4H,1-2H2;1-2H2.
What are the key properties of ethane-1,2-diol;ethene;propane-1,3-diol;propan-2-ol?
ethane-1,2-diol;ethene;propane-1,3-diol;propan-2-ol has a molecular weight of 226.31 g/mol, XLogP of -0.48, 3 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane-1,2-diol;ethene;propane-1,3-diol;propan-2-ol is sourced from PubChem (CID 173152517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).