2-methyl-3-pentylfuran

C10H16O — CID 12555082

IUPAC2-methyl-3-pentylfuran
SMILESCCCCCc1ccoc1C
InChIInChI=1S/C10H16O/c1-3-4-5-6-10-7-8-11-9(10)2/h7-8H,3-6H2,1-2H3
InChIKeyPLEQYDKDTDGVOD-UHFFFAOYSA-N
MW152.24 g/mol
LogP3.32
Rot. Bonds4

About 2-methyl-3-pentylfuran

2-methyl-3-pentylfuran (PubChem CID 12555082) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 2-methyl-3-pentylfuran.

Molecular Properties

Compound Name2-methyl-3-pentylfuran
PubChem CID12555082
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name2-methyl-3-pentylfuran
SMILESCCCCCc1ccoc1C
InChIInChI=1S/C10H16O/c1-3-4-5-6-10-7-8-11-9(10)2/h7-8H,3-6H2,1-2H3
InChIKeyPLEQYDKDTDGVOD-UHFFFAOYSA-N
XLogP3.32
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3-pentylfuran-2-yl)phosphane
CID 21095698
(3-heptylfuran-2-yl)phosphane
CID 21095511
3-heptylfuran-2-amine
CID 90951825
3-dodecylfuran-2-carbaldehyde
CID 54442257
(3-heptylfuran-2-yl)methanol
CID 14791772
2,3-dimethyl-1,4-dipentylbenzene
CID 54478491
ethyl 2-(3-nonylfuran-2-yl)acetate
CID 11482904
ethyl 2-(3-hexylfuran-2-yl)acetate
CID 11149114
7-pentyl-1-benzofuran
CID 90916397
2-N-methyl-2-N-[(2-methylfuran-3-yl)methyl]heptane-1,2-diamine
CID 61426720
4-hexyl-1-benzofuran
CID 90920870
2,5-dimethyl-3-pentylfuran
CID 15522203

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-pentylfuran?
The IUPAC name of 2-methyl-3-pentylfuran (CID 12555082) is 2-methyl-3-pentylfuran.
What is the SMILES notation for 2-methyl-3-pentylfuran?
The canonical SMILES for 2-methyl-3-pentylfuran is CCCCCc1ccoc1C.
What is the InChIKey of 2-methyl-3-pentylfuran?
The InChIKey is PLEQYDKDTDGVOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-3-4-5-6-10-7-8-11-9(10)2/h7-8H,3-6H2,1-2H3.
What are the key properties of 2-methyl-3-pentylfuran?
2-methyl-3-pentylfuran has a molecular weight of 152.24 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-pentylfuran is sourced from PubChem (CID 12555082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).