ethane-1,2-diol;propane-1,3-diol;bis(prop-1-ene)

C11H26O4 — CID 173377464

IUPACethane-1,2-diol;propane-1,3-diol;bis(prop-1-ene)
SMILESC=CC.C=CC.OCCCO.OCCO
InChIInChI=1S/C3H8O2.2C3H6.C2H6O2/c4-2-1-3-5;2*1-3-2;3-1-2-4/h4-5H,1-3H2;2*3H,1H2,2H3;3-4H,1-2H2
InChIKeyNLTWXENRFXPYAP-UHFFFAOYSA-N
MW222.32 g/mol
LogP0.72
Rot. Bonds3

About ethane-1,2-diol;propane-1,3-diol;bis(prop-1-ene)

ethane-1,2-diol;propane-1,3-diol;bis(prop-1-ene) (PubChem CID 173377464) has the molecular formula C11H26O4 and a molecular weight of 222.32 g/mol. Its IUPAC name is ethane-1,2-diol;propane-1,3-diol;bis(prop-1-ene).

Molecular Properties

Compound Nameethane-1,2-diol;propane-1,3-diol;bis(prop-1-ene)
PubChem CID173377464
Molecular FormulaC11H26O4
Molecular Weight222.32 g/mol
Exact Mass222.18
IUPAC Nameethane-1,2-diol;propane-1,3-diol;bis(prop-1-ene)
SMILESC=CC.C=CC.OCCCO.OCCO
InChIInChI=1S/C3H8O2.2C3H6.C2H6O2/c4-2-1-3-5;2*1-3-2;3-1-2-4/h4-5H,1-3H2;2*3H,1H2,2H3;3-4H,1-2H2
InChIKeyNLTWXENRFXPYAP-UHFFFAOYSA-N
XLogP0.72
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.32
LogP ≤ 50.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethane-1,2-diol;propane-1,3-diol;prop-1-ene
CID 87614722
bis(ethane-1,2-diol);ethene;tetrakis(prop-1-ene)
CID 173186866
ethane-1,2-diol;propan-2-ol;prop-1-ene
CID 87786416
decane;pentan-1-ol;prop-1-ene
CID 174418987
bis(ethane-1,2-diol);ethoxyethane;bis(prop-1-ene)
CID 173332144
ethane-1,2-diol;ethoxyethane;prop-1-ene
CID 87195266
ethane-1,2-diol;ethene;propane-1,3-diol;propan-2-ol
CID 173152517
buta-1,3-diene;bis(ethane-1,2-diol)
CID 87919637
ethane-1,2-diol;ethene;2-methoxyethanol;tetrakis(prop-1-ene)
CID 173186876
ethane-1,2-diol;bis(2-methylprop-2-enoic acid);tetrakis(prop-1-ene)
CID 174760131
ethane-1,2-diol;prop-1-ene;bis(2-sulfanylacetic acid)
CID 174510482
butan-1-ol;ethenol
CID 174734131

Frequently Asked Questions

What is the IUPAC name of ethane-1,2-diol;propane-1,3-diol;bis(prop-1-ene)?
The IUPAC name of ethane-1,2-diol;propane-1,3-diol;bis(prop-1-ene) (CID 173377464) is ethane-1,2-diol;propane-1,3-diol;bis(prop-1-ene).
What is the SMILES notation for ethane-1,2-diol;propane-1,3-diol;bis(prop-1-ene)?
The canonical SMILES for ethane-1,2-diol;propane-1,3-diol;bis(prop-1-ene) is C=CC.C=CC.OCCCO.OCCO.
What is the InChIKey of ethane-1,2-diol;propane-1,3-diol;bis(prop-1-ene)?
The InChIKey is NLTWXENRFXPYAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8O2.2C3H6.C2H6O2/c4-2-1-3-5;2*1-3-2;3-1-2-4/h4-5H,1-3H2;2*3H,1H2,2H3;3-4H,1-2H2.
What are the key properties of ethane-1,2-diol;propane-1,3-diol;bis(prop-1-ene)?
ethane-1,2-diol;propane-1,3-diol;bis(prop-1-ene) has a molecular weight of 222.32 g/mol, XLogP of 0.72, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane-1,2-diol;propane-1,3-diol;bis(prop-1-ene) is sourced from PubChem (CID 173377464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).