2-ethyl-2-prop-2-enoxypropane-1,3-diol

C8H16O3 — CID 11457842

IUPAC2-ethyl-2-prop-2-enoxypropane-1,3-diol
SMILESC=CCOC(CC)(CO)CO
InChIInChI=1S/C8H16O3/c1-3-5-11-8(4-2,6-9)7-10/h3,9-10H,1,4-7H2,2H3
InChIKeyQQVGAZQVUAFFJC-UHFFFAOYSA-N
MW160.21 g/mol
LogP0.32
Rot. Bonds6

About 2-ethyl-2-prop-2-enoxypropane-1,3-diol

2-ethyl-2-prop-2-enoxypropane-1,3-diol (PubChem CID 11457842) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is 2-ethyl-2-prop-2-enoxypropane-1,3-diol.

Molecular Properties

Compound Name2-ethyl-2-prop-2-enoxypropane-1,3-diol
PubChem CID11457842
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name2-ethyl-2-prop-2-enoxypropane-1,3-diol
SMILESC=CCOC(CC)(CO)CO
InChIInChI=1S/C8H16O3/c1-3-5-11-8(4-2,6-9)7-10/h3,9-10H,1,4-7H2,2H3
InChIKeyQQVGAZQVUAFFJC-UHFFFAOYSA-N
XLogP0.32
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-2-[3-(1-hydroxy-2-methylprop-2-enoxy)propoxy]propane-1,3-diol
CID 58836384
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
propane-1,1,1-triol;3-prop-2-enoxyprop-1-ene
CID 175245535
sodium;hydride;(1-hydroxy-1-prop-2-enoxypropyl) dihydrogen phosphite
CID 173408403
2-ethyl-2-iodophosphanyloxybutan-1-ol
CID 157032032
2-but-3-enyl-2-ethylhex-5-en-1-ol
CID 159922926
1,2-diethoxy-1-prop-2-enoxyethanol
CID 155338451
2-ethyl-2-(hydroxymethyl)propane-1,3-diol;prop-1-ene;hydrate
CID 174496072
3,3-bis(prop-2-enoxy)penta-1,4-diene
CID 11769137
CID 18764222
CID 18764222
2-ethyl-2-(prop-2-enylamino)propane-1,3-diol
CID 20751100

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-prop-2-enoxypropane-1,3-diol?
The IUPAC name of 2-ethyl-2-prop-2-enoxypropane-1,3-diol (CID 11457842) is 2-ethyl-2-prop-2-enoxypropane-1,3-diol.
What is the SMILES notation for 2-ethyl-2-prop-2-enoxypropane-1,3-diol?
The canonical SMILES for 2-ethyl-2-prop-2-enoxypropane-1,3-diol is C=CCOC(CC)(CO)CO.
What is the InChIKey of 2-ethyl-2-prop-2-enoxypropane-1,3-diol?
The InChIKey is QQVGAZQVUAFFJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3/c1-3-5-11-8(4-2,6-9)7-10/h3,9-10H,1,4-7H2,2H3.
What are the key properties of 2-ethyl-2-prop-2-enoxypropane-1,3-diol?
2-ethyl-2-prop-2-enoxypropane-1,3-diol has a molecular weight of 160.21 g/mol, XLogP of 0.32, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-prop-2-enoxypropane-1,3-diol is sourced from PubChem (CID 11457842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).