3-(2-hydroxyethyl)-3-(prop-2-enoxymethyl)pentane-1,5-diol

C11H22O4 — CID 101473517

IUPAC3-(2-hydroxyethyl)-3-(prop-2-enoxymethyl)pentane-1,5-diol
SMILESC=CCOCC(CCO)(CCO)CCO
InChIInChI=1S/C11H22O4/c1-2-9-15-10-11(3-6-12,4-7-13)5-8-14/h2,12-14H,1,3-10H2
InChIKeyCZVCFYZXYKRPMI-UHFFFAOYSA-N
MW218.29 g/mol
LogP0.32
Rot. Bonds10

About 3-(2-hydroxyethyl)-3-(prop-2-enoxymethyl)pentane-1,5-diol

3-(2-hydroxyethyl)-3-(prop-2-enoxymethyl)pentane-1,5-diol (PubChem CID 101473517) has the molecular formula C11H22O4 and a molecular weight of 218.29 g/mol. Its IUPAC name is 3-(2-hydroxyethyl)-3-(prop-2-enoxymethyl)pentane-1,5-diol.

Molecular Properties

Compound Name3-(2-hydroxyethyl)-3-(prop-2-enoxymethyl)pentane-1,5-diol
PubChem CID101473517
Molecular FormulaC11H22O4
Molecular Weight218.29 g/mol
Exact Mass218.15
IUPAC Name3-(2-hydroxyethyl)-3-(prop-2-enoxymethyl)pentane-1,5-diol
SMILESC=CCOCC(CCO)(CCO)CCO
InChIInChI=1S/C11H22O4/c1-2-9-15-10-11(3-6-12,4-7-13)5-8-14/h2,12-14H,1,3-10H2
InChIKeyCZVCFYZXYKRPMI-UHFFFAOYSA-N
XLogP0.32
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.29
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

3-prop-2-enoxy-2,2-bis(prop-2-enoxymethyl)propan-1-ol;hydrate
CID 141198690
2-(hydroxymethyl)-2-[[2-(hydroxymethyl)-2-[[2-(hydroxymethyl)-3-prop-2-enoxy-2-(prop-2-enoxymethyl)propoxy]methyl]-3-prop-2-enoxypropoxy]methyl]propane-1,3-diol
CID 170562720
2-methyl-2-(prop-2-enoxymethyl)butane-1,4-diol
CID 139805885
2-ethyl-2-(hydroxymethyl)propane-1,3-diol;3-prop-2-enoxy-2,2-bis(prop-2-enoxymethyl)propan-1-ol
CID 88725463
2,2-bis(prop-2-enoxymethyl)butan-1-ol;titanium(3+)
CID 175725412
6-ethyl-6-(prop-2-enoxymethyl)heptane-1,3,7-triol
CID 87260134
1-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-3-prop-2-enoxy-2,2-bis(prop-2-enoxymethyl)propane
CID 125489573
4-(methoxymethyl)-2,6-dimethyl-4-(prop-2-enoxymethyl)heptane
CID 19985298
[2,2-bis(prop-2-enoxymethyl)-3-prop-2-enoyloxypropyl] prop-2-enoate
CID 155625651
2-ethyl-2-(prop-2-enoxymethyl)propane-1,3-diol;hexanedioic acid
CID 6454241
2-[2-[2-[2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 14619769
2-[2-[2-[2-[2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 14619770

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyethyl)-3-(prop-2-enoxymethyl)pentane-1,5-diol?
The IUPAC name of 3-(2-hydroxyethyl)-3-(prop-2-enoxymethyl)pentane-1,5-diol (CID 101473517) is 3-(2-hydroxyethyl)-3-(prop-2-enoxymethyl)pentane-1,5-diol.
What is the SMILES notation for 3-(2-hydroxyethyl)-3-(prop-2-enoxymethyl)pentane-1,5-diol?
The canonical SMILES for 3-(2-hydroxyethyl)-3-(prop-2-enoxymethyl)pentane-1,5-diol is C=CCOCC(CCO)(CCO)CCO.
What is the InChIKey of 3-(2-hydroxyethyl)-3-(prop-2-enoxymethyl)pentane-1,5-diol?
The InChIKey is CZVCFYZXYKRPMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O4/c1-2-9-15-10-11(3-6-12,4-7-13)5-8-14/h2,12-14H,1,3-10H2.
What are the key properties of 3-(2-hydroxyethyl)-3-(prop-2-enoxymethyl)pentane-1,5-diol?
3-(2-hydroxyethyl)-3-(prop-2-enoxymethyl)pentane-1,5-diol has a molecular weight of 218.29 g/mol, XLogP of 0.32, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyethyl)-3-(prop-2-enoxymethyl)pentane-1,5-diol is sourced from PubChem (CID 101473517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).