2-(ethoxymethyl)-2-methyl-3-prop-2-ynoxypropan-1-ol

C10H18O3 — CID 155644050

IUPAC2-(ethoxymethyl)-2-methyl-3-prop-2-ynoxypropan-1-ol
SMILESC#CCOCC(C)(CO)COCC
InChIInChI=1S/C10H18O3/c1-4-6-13-9-10(3,7-11)8-12-5-2/h1,11H,5-9H2,2-3H3
InChIKeyIQZAPJIUUBQXAK-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.67
Rot. Bonds7

About 2-(ethoxymethyl)-2-methyl-3-prop-2-ynoxypropan-1-ol

2-(ethoxymethyl)-2-methyl-3-prop-2-ynoxypropan-1-ol (PubChem CID 155644050) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is 2-(ethoxymethyl)-2-methyl-3-prop-2-ynoxypropan-1-ol.

Molecular Properties

Compound Name2-(ethoxymethyl)-2-methyl-3-prop-2-ynoxypropan-1-ol
PubChem CID155644050
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name2-(ethoxymethyl)-2-methyl-3-prop-2-ynoxypropan-1-ol
SMILESC#CCOCC(C)(CO)COCC
InChIInChI=1S/C10H18O3/c1-4-6-13-9-10(3,7-11)8-12-5-2/h1,11H,5-9H2,2-3H3
InChIKeyIQZAPJIUUBQXAK-UHFFFAOYSA-N
XLogP0.67
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(ethoxymethyl)-2-methyl-3-prop-2-ynoxypropan-1-ol?
The IUPAC name of 2-(ethoxymethyl)-2-methyl-3-prop-2-ynoxypropan-1-ol (CID 155644050) is 2-(ethoxymethyl)-2-methyl-3-prop-2-ynoxypropan-1-ol.
What is the SMILES notation for 2-(ethoxymethyl)-2-methyl-3-prop-2-ynoxypropan-1-ol?
The canonical SMILES for 2-(ethoxymethyl)-2-methyl-3-prop-2-ynoxypropan-1-ol is C#CCOCC(C)(CO)COCC.
What is the InChIKey of 2-(ethoxymethyl)-2-methyl-3-prop-2-ynoxypropan-1-ol?
The InChIKey is IQZAPJIUUBQXAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-4-6-13-9-10(3,7-11)8-12-5-2/h1,11H,5-9H2,2-3H3.
What are the key properties of 2-(ethoxymethyl)-2-methyl-3-prop-2-ynoxypropan-1-ol?
2-(ethoxymethyl)-2-methyl-3-prop-2-ynoxypropan-1-ol has a molecular weight of 186.25 g/mol, XLogP of 0.67, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethyl)-2-methyl-3-prop-2-ynoxypropan-1-ol is sourced from PubChem (CID 155644050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).