1-(3-methylfuran-2-yl)decan-1-one

C15H24O2 — CID 104799396

IUPAC1-(3-methylfuran-2-yl)decan-1-one
SMILESCCCCCCCCCC(=O)c1occc1C
InChIInChI=1S/C15H24O2/c1-3-4-5-6-7-8-9-10-14(16)15-13(2)11-12-17-15/h11-12H,3-10H2,1-2H3
InChIKeyPOJMZJCHCORULP-UHFFFAOYSA-N
MW236.35 g/mol
LogP4.91
Rot. Bonds9

About 1-(3-methylfuran-2-yl)decan-1-one

1-(3-methylfuran-2-yl)decan-1-one (PubChem CID 104799396) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is 1-(3-methylfuran-2-yl)decan-1-one.

Molecular Properties

Compound Name1-(3-methylfuran-2-yl)decan-1-one
PubChem CID104799396
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name1-(3-methylfuran-2-yl)decan-1-one
SMILESCCCCCCCCCC(=O)c1occc1C
InChIInChI=1S/C15H24O2/c1-3-4-5-6-7-8-9-10-14(16)15-13(2)11-12-17-15/h11-12H,3-10H2,1-2H3
InChIKeyPOJMZJCHCORULP-UHFFFAOYSA-N
XLogP4.91
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-methylfuran-3-yl)tridecan-1-one
CID 104789237
1-(2-bromofuran-3-yl)decan-1-one
CID 106856594
1-(furan-2-yl)undecan-1-one
CID 15721327
1-(2,6-dimethylphenyl)nonan-1-one
CID 114026790
1-(3-bromofuran-2-yl)butan-1-one
CID 63941447
1-(4-tetradecanoylphenyl)tetradecan-1-one
CID 59518381
2-(4-ethylphenyl)-1-(3-methylfuran-2-yl)ethanone
CID 104799512
1-(2-methylphenyl)undecan-1-one
CID 63409592
1-(2-methylphenyl)nonan-1-one
CID 63409672
1-(1-benzofuran-5-yl)octan-1-one
CID 155672495
1-(3,4-dimethylphenyl)undecan-1-one
CID 114968936
1-(3,4-dimethylphenyl)tetradecan-1-one
CID 146006499

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylfuran-2-yl)decan-1-one?
The IUPAC name of 1-(3-methylfuran-2-yl)decan-1-one (CID 104799396) is 1-(3-methylfuran-2-yl)decan-1-one.
What is the SMILES notation for 1-(3-methylfuran-2-yl)decan-1-one?
The canonical SMILES for 1-(3-methylfuran-2-yl)decan-1-one is CCCCCCCCCC(=O)c1occc1C.
What is the InChIKey of 1-(3-methylfuran-2-yl)decan-1-one?
The InChIKey is POJMZJCHCORULP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-3-4-5-6-7-8-9-10-14(16)15-13(2)11-12-17-15/h11-12H,3-10H2,1-2H3.
What are the key properties of 1-(3-methylfuran-2-yl)decan-1-one?
1-(3-methylfuran-2-yl)decan-1-one has a molecular weight of 236.35 g/mol, XLogP of 4.91, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylfuran-2-yl)decan-1-one is sourced from PubChem (CID 104799396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).