3-(cyclobuten-1-yloxy)propan-1-ol

C7H12O2 — CID 150941808

IUPAC3-(cyclobuten-1-yloxy)propan-1-ol
SMILESOCCCOC1=CCC1
InChIInChI=1S/C7H12O2/c8-5-2-6-9-7-3-1-4-7/h3,8H,1-2,4-6H2
InChIKeyLIFDADWRHFFYHA-UHFFFAOYSA-N
MW128.17 g/mol
LogP1.06
Rot. Bonds4

About 3-(cyclobuten-1-yloxy)propan-1-ol

3-(cyclobuten-1-yloxy)propan-1-ol (PubChem CID 150941808) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is 3-(cyclobuten-1-yloxy)propan-1-ol.

Molecular Properties

Compound Name3-(cyclobuten-1-yloxy)propan-1-ol
PubChem CID150941808
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Name3-(cyclobuten-1-yloxy)propan-1-ol
SMILESOCCCOC1=CCC1
InChIInChI=1S/C7H12O2/c8-5-2-6-9-7-3-1-4-7/h3,8H,1-2,4-6H2
InChIKeyLIFDADWRHFFYHA-UHFFFAOYSA-N
XLogP1.06
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 51.06
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-(cyclobuten-1-yloxy)propan-1-ol?
The IUPAC name of 3-(cyclobuten-1-yloxy)propan-1-ol (CID 150941808) is 3-(cyclobuten-1-yloxy)propan-1-ol.
What is the SMILES notation for 3-(cyclobuten-1-yloxy)propan-1-ol?
The canonical SMILES for 3-(cyclobuten-1-yloxy)propan-1-ol is OCCCOC1=CCC1.
What is the InChIKey of 3-(cyclobuten-1-yloxy)propan-1-ol?
The InChIKey is LIFDADWRHFFYHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2/c8-5-2-6-9-7-3-1-4-7/h3,8H,1-2,4-6H2.
What are the key properties of 3-(cyclobuten-1-yloxy)propan-1-ol?
3-(cyclobuten-1-yloxy)propan-1-ol has a molecular weight of 128.17 g/mol, XLogP of 1.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclobuten-1-yloxy)propan-1-ol is sourced from PubChem (CID 150941808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).