2-(methoxymethyl)-3-prop-2-ynoxy-2-(prop-2-ynoxymethyl)propan-1-ol

C12H18O4 — CID 88942771

IUPAC2-(methoxymethyl)-3-prop-2-ynoxy-2-(prop-2-ynoxymethyl)propan-1-ol
SMILESC#CCOCC(CO)(COC)COCC#C
InChIInChI=1S/C12H18O4/c1-4-6-15-10-12(8-13,9-14-3)11-16-7-5-2/h1-2,13H,6-11H2,3H3
InChIKeyFULNJACNKSCQBI-UHFFFAOYSA-N
MW226.27 g/mol
LogP-0.09
Rot. Bonds9

About 2-(methoxymethyl)-3-prop-2-ynoxy-2-(prop-2-ynoxymethyl)propan-1-ol

2-(methoxymethyl)-3-prop-2-ynoxy-2-(prop-2-ynoxymethyl)propan-1-ol (PubChem CID 88942771) has the molecular formula C12H18O4 and a molecular weight of 226.27 g/mol. Its IUPAC name is 2-(methoxymethyl)-3-prop-2-ynoxy-2-(prop-2-ynoxymethyl)propan-1-ol.

Molecular Properties

Compound Name2-(methoxymethyl)-3-prop-2-ynoxy-2-(prop-2-ynoxymethyl)propan-1-ol
PubChem CID88942771
Molecular FormulaC12H18O4
Molecular Weight226.27 g/mol
Exact Mass226.12
IUPAC Name2-(methoxymethyl)-3-prop-2-ynoxy-2-(prop-2-ynoxymethyl)propan-1-ol
SMILESC#CCOCC(CO)(COC)COCC#C
InChIInChI=1S/C12H18O4/c1-4-6-15-10-12(8-13,9-14-3)11-16-7-5-2/h1-2,13H,6-11H2,3H3
InChIKeyFULNJACNKSCQBI-UHFFFAOYSA-N
XLogP-0.09
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(methoxymethyl)-3-prop-2-ynoxy-2-(prop-2-ynoxymethyl)propan-1-ol?
The IUPAC name of 2-(methoxymethyl)-3-prop-2-ynoxy-2-(prop-2-ynoxymethyl)propan-1-ol (CID 88942771) is 2-(methoxymethyl)-3-prop-2-ynoxy-2-(prop-2-ynoxymethyl)propan-1-ol.
What is the SMILES notation for 2-(methoxymethyl)-3-prop-2-ynoxy-2-(prop-2-ynoxymethyl)propan-1-ol?
The canonical SMILES for 2-(methoxymethyl)-3-prop-2-ynoxy-2-(prop-2-ynoxymethyl)propan-1-ol is C#CCOCC(CO)(COC)COCC#C.
What is the InChIKey of 2-(methoxymethyl)-3-prop-2-ynoxy-2-(prop-2-ynoxymethyl)propan-1-ol?
The InChIKey is FULNJACNKSCQBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O4/c1-4-6-15-10-12(8-13,9-14-3)11-16-7-5-2/h1-2,13H,6-11H2,3H3.
What are the key properties of 2-(methoxymethyl)-3-prop-2-ynoxy-2-(prop-2-ynoxymethyl)propan-1-ol?
2-(methoxymethyl)-3-prop-2-ynoxy-2-(prop-2-ynoxymethyl)propan-1-ol has a molecular weight of 226.27 g/mol, XLogP of -0.09, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-3-prop-2-ynoxy-2-(prop-2-ynoxymethyl)propan-1-ol is sourced from PubChem (CID 88942771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).