3-ethoxy-1-hexylcyclobutan-1-ol

C12H24O2 — CID 106823263

IUPAC3-ethoxy-1-hexylcyclobutan-1-ol
SMILESCCCCCCC1(O)CC(OCC)C1
InChIInChI=1S/C12H24O2/c1-3-5-6-7-8-12(13)9-11(10-12)14-4-2/h11,13H,3-10H2,1-2H3
InChIKeyHSCYOXIQXMQUCU-UHFFFAOYSA-N
MW200.32 g/mol
LogP2.89
Rot. Bonds7

About 3-ethoxy-1-hexylcyclobutan-1-ol

3-ethoxy-1-hexylcyclobutan-1-ol (PubChem CID 106823263) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is 3-ethoxy-1-hexylcyclobutan-1-ol.

Molecular Properties

Compound Name3-ethoxy-1-hexylcyclobutan-1-ol
PubChem CID106823263
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name3-ethoxy-1-hexylcyclobutan-1-ol
SMILESCCCCCCC1(O)CC(OCC)C1
InChIInChI=1S/C12H24O2/c1-3-5-6-7-8-12(13)9-11(10-12)14-4-2/h11,13H,3-10H2,1-2H3
InChIKeyHSCYOXIQXMQUCU-UHFFFAOYSA-N
XLogP2.89
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 3-ethoxy-1-hexylcyclobutan-1-ol?
The IUPAC name of 3-ethoxy-1-hexylcyclobutan-1-ol (CID 106823263) is 3-ethoxy-1-hexylcyclobutan-1-ol.
What is the SMILES notation for 3-ethoxy-1-hexylcyclobutan-1-ol?
The canonical SMILES for 3-ethoxy-1-hexylcyclobutan-1-ol is CCCCCCC1(O)CC(OCC)C1.
What is the InChIKey of 3-ethoxy-1-hexylcyclobutan-1-ol?
The InChIKey is HSCYOXIQXMQUCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2/c1-3-5-6-7-8-12(13)9-11(10-12)14-4-2/h11,13H,3-10H2,1-2H3.
What are the key properties of 3-ethoxy-1-hexylcyclobutan-1-ol?
3-ethoxy-1-hexylcyclobutan-1-ol has a molecular weight of 200.32 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-1-hexylcyclobutan-1-ol is sourced from PubChem (CID 106823263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).