2-methyl-5-(octoxymethyl)furan

C14H24O2 — CID 21314380

IUPAC2-methyl-5-(octoxymethyl)furan
SMILESCCCCCCCCOCc1ccc(C)o1
InChIInChI=1S/C14H24O2/c1-3-4-5-6-7-8-11-15-12-14-10-9-13(2)16-14/h9-10H,3-8,11-12H2,1-2H3
InChIKeyZPDSYSQNISRAJT-UHFFFAOYSA-N
MW224.34 g/mol
LogP4.47
Rot. Bonds9

About 2-methyl-5-(octoxymethyl)furan

2-methyl-5-(octoxymethyl)furan (PubChem CID 21314380) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is 2-methyl-5-(octoxymethyl)furan.

Molecular Properties

Compound Name2-methyl-5-(octoxymethyl)furan
PubChem CID21314380
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name2-methyl-5-(octoxymethyl)furan
SMILESCCCCCCCCOCc1ccc(C)o1
InChIInChI=1S/C14H24O2/c1-3-4-5-6-7-8-11-15-12-14-10-9-13(2)16-14/h9-10H,3-8,11-12H2,1-2H3
InChIKeyZPDSYSQNISRAJT-UHFFFAOYSA-N
XLogP4.47
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 54.47
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

3-[2-[(5-methylfuran-2-yl)methoxy]ethoxy]propan-1-amine
CID 44720293
2-(decoxymethyl)-5-ethenylfuran
CID 158934366
[5-(hexoxymethyl)furan-2-yl]methyl-trimethylazanium iodide
CID 118173209
5-(tetradecoxymethyl)furan-2-carboxylic acid
CID 22152429
ethoxyethane;2-(ethoxymethyl)-5-methylfuran
CID 118958545
deuterium monohydride;[5-(hexoxymethyl)furan-2-yl]methyl-trimethylazanium;iodide
CID 161053236
N-[[5-(hexoxymethyl)furan-2-yl]methyl]-2-methylpropan-2-amine
CID 62457603
2-[[5-(decoxymethyl)furan-2-yl]methyl]propanedioic acid
CID 168891155
N-[[5-(octadecoxymethyl)furan-2-yl]methyl]-1-phenylmethanamine
CID 130327903
5-(hexadec-9-enoxymethyl)furan-2-carbaldehyde
CID 123565509
3-butoxy-N,N-bis[(5-methylfuran-2-yl)methyl]propan-1-amine
CID 5171820
2-methyl-N-[[5-(pentoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 62449718

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(octoxymethyl)furan?
The IUPAC name of 2-methyl-5-(octoxymethyl)furan (CID 21314380) is 2-methyl-5-(octoxymethyl)furan.
What is the SMILES notation for 2-methyl-5-(octoxymethyl)furan?
The canonical SMILES for 2-methyl-5-(octoxymethyl)furan is CCCCCCCCOCc1ccc(C)o1.
What is the InChIKey of 2-methyl-5-(octoxymethyl)furan?
The InChIKey is ZPDSYSQNISRAJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-3-4-5-6-7-8-11-15-12-14-10-9-13(2)16-14/h9-10H,3-8,11-12H2,1-2H3.
What are the key properties of 2-methyl-5-(octoxymethyl)furan?
2-methyl-5-(octoxymethyl)furan has a molecular weight of 224.34 g/mol, XLogP of 4.47, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(octoxymethyl)furan is sourced from PubChem (CID 21314380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).