1-cyclopropyl-2-ethoxy-2-methylbutan-1-ol

C10H20O2 — CID 116752277

IUPAC1-cyclopropyl-2-ethoxy-2-methylbutan-1-ol
SMILESCCOC(C)(CC)C(O)C1CC1
InChIInChI=1S/C10H20O2/c1-4-10(3,12-5-2)9(11)8-6-7-8/h8-9,11H,4-7H2,1-3H3
InChIKeyXONWDHHSZXSEIQ-UHFFFAOYSA-N
MW172.27 g/mol
LogP1.96
Rot. Bonds5

About 1-cyclopropyl-2-ethoxy-2-methylbutan-1-ol

1-cyclopropyl-2-ethoxy-2-methylbutan-1-ol (PubChem CID 116752277) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 1-cyclopropyl-2-ethoxy-2-methylbutan-1-ol.

Molecular Properties

Compound Name1-cyclopropyl-2-ethoxy-2-methylbutan-1-ol
PubChem CID116752277
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name1-cyclopropyl-2-ethoxy-2-methylbutan-1-ol
SMILESCCOC(C)(CC)C(O)C1CC1
InChIInChI=1S/C10H20O2/c1-4-10(3,12-5-2)9(11)8-6-7-8/h8-9,11H,4-7H2,1-3H3
InChIKeyXONWDHHSZXSEIQ-UHFFFAOYSA-N
XLogP1.96
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-ethoxy-2-methylbutan-1-ol?
The IUPAC name of 1-cyclopropyl-2-ethoxy-2-methylbutan-1-ol (CID 116752277) is 1-cyclopropyl-2-ethoxy-2-methylbutan-1-ol.
What is the SMILES notation for 1-cyclopropyl-2-ethoxy-2-methylbutan-1-ol?
The canonical SMILES for 1-cyclopropyl-2-ethoxy-2-methylbutan-1-ol is CCOC(C)(CC)C(O)C1CC1.
What is the InChIKey of 1-cyclopropyl-2-ethoxy-2-methylbutan-1-ol?
The InChIKey is XONWDHHSZXSEIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-4-10(3,12-5-2)9(11)8-6-7-8/h8-9,11H,4-7H2,1-3H3.
What are the key properties of 1-cyclopropyl-2-ethoxy-2-methylbutan-1-ol?
1-cyclopropyl-2-ethoxy-2-methylbutan-1-ol has a molecular weight of 172.27 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-ethoxy-2-methylbutan-1-ol is sourced from PubChem (CID 116752277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).