1-butoxy-3-[(3-ethyloxetan-3-yl)methoxy]propan-2-ol

C13H26O4 — CID 22673213

IUPAC1-butoxy-3-[(3-ethyloxetan-3-yl)methoxy]propan-2-ol
SMILESCCCCOCC(O)COCC1(CC)COC1
InChIInChI=1S/C13H26O4/c1-3-5-6-15-7-12(14)8-16-9-13(4-2)10-17-11-13/h12,14H,3-11H2,1-2H3
InChIKeyCFCQQNMQQOGVEC-UHFFFAOYSA-N
MW246.35 g/mol
LogP1.61
Rot. Bonds10

About 1-butoxy-3-[(3-ethyloxetan-3-yl)methoxy]propan-2-ol

1-butoxy-3-[(3-ethyloxetan-3-yl)methoxy]propan-2-ol (PubChem CID 22673213) has the molecular formula C13H26O4 and a molecular weight of 246.35 g/mol. Its IUPAC name is 1-butoxy-3-[(3-ethyloxetan-3-yl)methoxy]propan-2-ol.

Molecular Properties

Compound Name1-butoxy-3-[(3-ethyloxetan-3-yl)methoxy]propan-2-ol
PubChem CID22673213
Molecular FormulaC13H26O4
Molecular Weight246.35 g/mol
Exact Mass246.18
IUPAC Name1-butoxy-3-[(3-ethyloxetan-3-yl)methoxy]propan-2-ol
SMILESCCCCOCC(O)COCC1(CC)COC1
InChIInChI=1S/C13H26O4/c1-3-5-6-15-7-12(14)8-16-9-13(4-2)10-17-11-13/h12,14H,3-11H2,1-2H3
InChIKeyCFCQQNMQQOGVEC-UHFFFAOYSA-N
XLogP1.61
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-butoxy-3-[(3-ethyloxetan-3-yl)methoxy]propan-2-ol?
The IUPAC name of 1-butoxy-3-[(3-ethyloxetan-3-yl)methoxy]propan-2-ol (CID 22673213) is 1-butoxy-3-[(3-ethyloxetan-3-yl)methoxy]propan-2-ol.
What is the SMILES notation for 1-butoxy-3-[(3-ethyloxetan-3-yl)methoxy]propan-2-ol?
The canonical SMILES for 1-butoxy-3-[(3-ethyloxetan-3-yl)methoxy]propan-2-ol is CCCCOCC(O)COCC1(CC)COC1.
What is the InChIKey of 1-butoxy-3-[(3-ethyloxetan-3-yl)methoxy]propan-2-ol?
The InChIKey is CFCQQNMQQOGVEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O4/c1-3-5-6-15-7-12(14)8-16-9-13(4-2)10-17-11-13/h12,14H,3-11H2,1-2H3.
What are the key properties of 1-butoxy-3-[(3-ethyloxetan-3-yl)methoxy]propan-2-ol?
1-butoxy-3-[(3-ethyloxetan-3-yl)methoxy]propan-2-ol has a molecular weight of 246.35 g/mol, XLogP of 1.61, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxy-3-[(3-ethyloxetan-3-yl)methoxy]propan-2-ol is sourced from PubChem (CID 22673213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).