3-heptoxy-2-propoxycyclobutan-1-one

C14H26O3 — CID 107942270

IUPAC3-heptoxy-2-propoxycyclobutan-1-one
SMILESCCCCCCCOC1CC(=O)C1OCCC
InChIInChI=1S/C14H26O3/c1-3-5-6-7-8-10-16-13-11-12(15)14(13)17-9-4-2/h13-14H,3-11H2,1-2H3
InChIKeyPFNKMSQRONPTOP-UHFFFAOYSA-N
MW242.36 g/mol
LogP3.11
Rot. Bonds10

About 3-heptoxy-2-propoxycyclobutan-1-one

3-heptoxy-2-propoxycyclobutan-1-one (PubChem CID 107942270) has the molecular formula C14H26O3 and a molecular weight of 242.36 g/mol. Its IUPAC name is 3-heptoxy-2-propoxycyclobutan-1-one.

Molecular Properties

Compound Name3-heptoxy-2-propoxycyclobutan-1-one
PubChem CID107942270
Molecular FormulaC14H26O3
Molecular Weight242.36 g/mol
Exact Mass242.19
IUPAC Name3-heptoxy-2-propoxycyclobutan-1-one
SMILESCCCCCCCOC1CC(=O)C1OCCC
InChIInChI=1S/C14H26O3/c1-3-5-6-7-8-10-16-13-11-12(15)14(13)17-9-4-2/h13-14H,3-11H2,1-2H3
InChIKeyPFNKMSQRONPTOP-UHFFFAOYSA-N
XLogP3.11
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-heptoxy-2-propoxycyclobutan-1-one?
The IUPAC name of 3-heptoxy-2-propoxycyclobutan-1-one (CID 107942270) is 3-heptoxy-2-propoxycyclobutan-1-one.
What is the SMILES notation for 3-heptoxy-2-propoxycyclobutan-1-one?
The canonical SMILES for 3-heptoxy-2-propoxycyclobutan-1-one is CCCCCCCOC1CC(=O)C1OCCC.
What is the InChIKey of 3-heptoxy-2-propoxycyclobutan-1-one?
The InChIKey is PFNKMSQRONPTOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O3/c1-3-5-6-7-8-10-16-13-11-12(15)14(13)17-9-4-2/h13-14H,3-11H2,1-2H3.
What are the key properties of 3-heptoxy-2-propoxycyclobutan-1-one?
3-heptoxy-2-propoxycyclobutan-1-one has a molecular weight of 242.36 g/mol, XLogP of 3.11, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-heptoxy-2-propoxycyclobutan-1-one is sourced from PubChem (CID 107942270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).