2-ethoxy-3-(3-methoxypropoxy)butan-2-ol

C10H22O4 — CID 174731703

IUPAC2-ethoxy-3-(3-methoxypropoxy)butan-2-ol
SMILESCCOC(C)(O)C(C)OCCCOC
InChIInChI=1S/C10H22O4/c1-5-14-10(3,11)9(2)13-8-6-7-12-4/h9,11H,5-8H2,1-4H3
InChIKeySMAKMMRCILLFAY-UHFFFAOYSA-N
MW206.28 g/mol
LogP1.17
Rot. Bonds8

About 2-ethoxy-3-(3-methoxypropoxy)butan-2-ol

2-ethoxy-3-(3-methoxypropoxy)butan-2-ol (PubChem CID 174731703) has the molecular formula C10H22O4 and a molecular weight of 206.28 g/mol. Its IUPAC name is 2-ethoxy-3-(3-methoxypropoxy)butan-2-ol.

Molecular Properties

Compound Name2-ethoxy-3-(3-methoxypropoxy)butan-2-ol
PubChem CID174731703
Molecular FormulaC10H22O4
Molecular Weight206.28 g/mol
Exact Mass206.15
IUPAC Name2-ethoxy-3-(3-methoxypropoxy)butan-2-ol
SMILESCCOC(C)(O)C(C)OCCCOC
InChIInChI=1S/C10H22O4/c1-5-14-10(3,11)9(2)13-8-6-7-12-4/h9,11H,5-8H2,1-4H3
InChIKeySMAKMMRCILLFAY-UHFFFAOYSA-N
XLogP1.17
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3-(3-methoxypropoxy)butan-2-ol?
The IUPAC name of 2-ethoxy-3-(3-methoxypropoxy)butan-2-ol (CID 174731703) is 2-ethoxy-3-(3-methoxypropoxy)butan-2-ol.
What is the SMILES notation for 2-ethoxy-3-(3-methoxypropoxy)butan-2-ol?
The canonical SMILES for 2-ethoxy-3-(3-methoxypropoxy)butan-2-ol is CCOC(C)(O)C(C)OCCCOC.
What is the InChIKey of 2-ethoxy-3-(3-methoxypropoxy)butan-2-ol?
The InChIKey is SMAKMMRCILLFAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O4/c1-5-14-10(3,11)9(2)13-8-6-7-12-4/h9,11H,5-8H2,1-4H3.
What are the key properties of 2-ethoxy-3-(3-methoxypropoxy)butan-2-ol?
2-ethoxy-3-(3-methoxypropoxy)butan-2-ol has a molecular weight of 206.28 g/mol, XLogP of 1.17, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3-(3-methoxypropoxy)butan-2-ol is sourced from PubChem (CID 174731703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).