2-(6-ethenoxyhexan-2-yl)-2-(hydroxymethyl)propane-1,3-diol

C12H24O4 — CID 154307133

IUPAC2-(6-ethenoxyhexan-2-yl)-2-(hydroxymethyl)propane-1,3-diol
SMILESC=COCCCCC(C)C(CO)(CO)CO
InChIInChI=1S/C12H24O4/c1-3-16-7-5-4-6-11(2)12(8-13,9-14)10-15/h3,11,13-15H,1,4-10H2,2H3
InChIKeyRQMOXAOERNKUBW-UHFFFAOYSA-N
MW232.32 g/mol
LogP0.92
Rot. Bonds10

About 2-(6-ethenoxyhexan-2-yl)-2-(hydroxymethyl)propane-1,3-diol

2-(6-ethenoxyhexan-2-yl)-2-(hydroxymethyl)propane-1,3-diol (PubChem CID 154307133) has the molecular formula C12H24O4 and a molecular weight of 232.32 g/mol. Its IUPAC name is 2-(6-ethenoxyhexan-2-yl)-2-(hydroxymethyl)propane-1,3-diol.

Molecular Properties

Compound Name2-(6-ethenoxyhexan-2-yl)-2-(hydroxymethyl)propane-1,3-diol
PubChem CID154307133
Molecular FormulaC12H24O4
Molecular Weight232.32 g/mol
Exact Mass232.17
IUPAC Name2-(6-ethenoxyhexan-2-yl)-2-(hydroxymethyl)propane-1,3-diol
SMILESC=COCCCCC(C)C(CO)(CO)CO
InChIInChI=1S/C12H24O4/c1-3-16-7-5-4-6-11(2)12(8-13,9-14)10-15/h3,11,13-15H,1,4-10H2,2H3
InChIKeyRQMOXAOERNKUBW-UHFFFAOYSA-N
XLogP0.92
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,2-bis(hydroxymethyl)-3-methylhexane-1,6-diol
CID 142698354
6-ethenoxyhexan-2-yloxy(trihydroxy)silane
CID 88505849
2-heptadecan-2-yl-2-(hydroxymethyl)propane-1,3-diol
CID 175092551
11-ethenoxy-2-fluoroundecan-1-ol
CID 139609456
7-ethenoxyheptan-3-ol
CID 175035685
1-ethenoxy-4-methylpentane
CID 22665202
1,9-bis(ethenoxy)nonane
CID 21044784
1,16-bis(ethenoxy)hexadecane
CID 19877850
14-ethenoxytetradecan-1-ol
CID 139931182
1,4-bis(ethenoxy)butane;butane
CID 158192522
4-ethenoxybutan-1-ol;ethenoxyethane
CID 175259302
1-ethenoxybutane;hydrate
CID 174447139

Frequently Asked Questions

What is the IUPAC name of 2-(6-ethenoxyhexan-2-yl)-2-(hydroxymethyl)propane-1,3-diol?
The IUPAC name of 2-(6-ethenoxyhexan-2-yl)-2-(hydroxymethyl)propane-1,3-diol (CID 154307133) is 2-(6-ethenoxyhexan-2-yl)-2-(hydroxymethyl)propane-1,3-diol.
What is the SMILES notation for 2-(6-ethenoxyhexan-2-yl)-2-(hydroxymethyl)propane-1,3-diol?
The canonical SMILES for 2-(6-ethenoxyhexan-2-yl)-2-(hydroxymethyl)propane-1,3-diol is C=COCCCCC(C)C(CO)(CO)CO.
What is the InChIKey of 2-(6-ethenoxyhexan-2-yl)-2-(hydroxymethyl)propane-1,3-diol?
The InChIKey is RQMOXAOERNKUBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O4/c1-3-16-7-5-4-6-11(2)12(8-13,9-14)10-15/h3,11,13-15H,1,4-10H2,2H3.
What are the key properties of 2-(6-ethenoxyhexan-2-yl)-2-(hydroxymethyl)propane-1,3-diol?
2-(6-ethenoxyhexan-2-yl)-2-(hydroxymethyl)propane-1,3-diol has a molecular weight of 232.32 g/mol, XLogP of 0.92, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-ethenoxyhexan-2-yl)-2-(hydroxymethyl)propane-1,3-diol is sourced from PubChem (CID 154307133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).