3-(7-methyloctyl)-3,6-dihydro-1H-furo[3,4-c]furan-4-one

C15H24O3 — CID 45359298

IUPAC3-(7-methyloctyl)-3,6-dihydro-1H-furo[3,4-c]furan-4-one
SMILESCC(C)CCCCCCC1OCC2=C1C(=O)OC2
InChIInChI=1S/C15H24O3/c1-11(2)7-5-3-4-6-8-13-14-12(9-17-13)10-18-15(14)16/h11,13H,3-10H2,1-2H3
InChIKeyJOCZSYMETZMYCX-UHFFFAOYSA-N
MW252.35 g/mol
LogP3.24
Rot. Bonds7

About 3-(7-methyloctyl)-3,6-dihydro-1H-furo[3,4-c]furan-4-one

3-(7-methyloctyl)-3,6-dihydro-1H-furo[3,4-c]furan-4-one (PubChem CID 45359298) has the molecular formula C15H24O3 and a molecular weight of 252.35 g/mol. Its IUPAC name is 3-(7-methyloctyl)-3,6-dihydro-1H-furo[3,4-c]furan-4-one.

Molecular Properties

Compound Name3-(7-methyloctyl)-3,6-dihydro-1H-furo[3,4-c]furan-4-one
PubChem CID45359298
Molecular FormulaC15H24O3
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Name3-(7-methyloctyl)-3,6-dihydro-1H-furo[3,4-c]furan-4-one
SMILESCC(C)CCCCCCC1OCC2=C1C(=O)OC2
InChIInChI=1S/C15H24O3/c1-11(2)7-5-3-4-6-8-13-14-12(9-17-13)10-18-15(14)16/h11,13H,3-10H2,1-2H3
InChIKeyJOCZSYMETZMYCX-UHFFFAOYSA-N
XLogP3.24
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 53.24
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-(7-methyloctyl)-3,6-dihydro-1H-furo[3,4-c]furan-4-one?
The IUPAC name of 3-(7-methyloctyl)-3,6-dihydro-1H-furo[3,4-c]furan-4-one (CID 45359298) is 3-(7-methyloctyl)-3,6-dihydro-1H-furo[3,4-c]furan-4-one.
What is the SMILES notation for 3-(7-methyloctyl)-3,6-dihydro-1H-furo[3,4-c]furan-4-one?
The canonical SMILES for 3-(7-methyloctyl)-3,6-dihydro-1H-furo[3,4-c]furan-4-one is CC(C)CCCCCCC1OCC2=C1C(=O)OC2.
What is the InChIKey of 3-(7-methyloctyl)-3,6-dihydro-1H-furo[3,4-c]furan-4-one?
The InChIKey is JOCZSYMETZMYCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O3/c1-11(2)7-5-3-4-6-8-13-14-12(9-17-13)10-18-15(14)16/h11,13H,3-10H2,1-2H3.
What are the key properties of 3-(7-methyloctyl)-3,6-dihydro-1H-furo[3,4-c]furan-4-one?
3-(7-methyloctyl)-3,6-dihydro-1H-furo[3,4-c]furan-4-one has a molecular weight of 252.35 g/mol, XLogP of 3.24, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-methyloctyl)-3,6-dihydro-1H-furo[3,4-c]furan-4-one is sourced from PubChem (CID 45359298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).