1-(2,5-dimethylfuran-3-yl)pentan-1-ol

C11H18O2 — CID 115783226

IUPAC1-(2,5-dimethylfuran-3-yl)pentan-1-ol
SMILESCCCCC(O)c1cc(C)oc1C
InChIInChI=1S/C11H18O2/c1-4-5-6-11(12)10-7-8(2)13-9(10)3/h7,11-12H,4-6H2,1-3H3
InChIKeyFJKNMRPVWFTXHX-UHFFFAOYSA-N
MW182.26 g/mol
LogP3.12
Rot. Bonds4

About 1-(2,5-dimethylfuran-3-yl)pentan-1-ol

1-(2,5-dimethylfuran-3-yl)pentan-1-ol (PubChem CID 115783226) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 1-(2,5-dimethylfuran-3-yl)pentan-1-ol.

Molecular Properties

Compound Name1-(2,5-dimethylfuran-3-yl)pentan-1-ol
PubChem CID115783226
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name1-(2,5-dimethylfuran-3-yl)pentan-1-ol
SMILESCCCCC(O)c1cc(C)oc1C
InChIInChI=1S/C11H18O2/c1-4-5-6-11(12)10-7-8(2)13-9(10)3/h7,11-12H,4-6H2,1-3H3
InChIKeyFJKNMRPVWFTXHX-UHFFFAOYSA-N
XLogP3.12
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-dimethylfuran-3-yl)-4-methylpent-4-en-1-ol
CID 115834380
1-(2,5-dimethylfuran-3-yl)-2-propoxyethanol
CID 115818822
1-(2,5-dimethylfuran-3-yl)-4-phenylbutan-1-ol
CID 115791080
1-(2,5-dimethylfuran-3-yl)-2-ethoxyethanol
CID 115818657
N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]propanamide
CID 121133006
1-(2,5-dimethylfuran-3-yl)-2-(4-ethylphenyl)ethanol
CID 114980726
N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2-ethylbutanamide
CID 121133019
1-(2,5-dimethylfuran-3-yl)decylhydrazine
CID 105293337
[1-(2,5-dimethylfuran-3-yl)-3-ethylheptyl]hydrazine
CID 105288308
N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2-methylpropanamide
CID 121133010
1-(2,5-dimethylfuran-3-yl)-3-(4-methoxyphenyl)propan-1-ol
CID 115803168
N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2,5-dimethylfuran-3-carboxamide
CID 121133032

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylfuran-3-yl)pentan-1-ol?
The IUPAC name of 1-(2,5-dimethylfuran-3-yl)pentan-1-ol (CID 115783226) is 1-(2,5-dimethylfuran-3-yl)pentan-1-ol.
What is the SMILES notation for 1-(2,5-dimethylfuran-3-yl)pentan-1-ol?
The canonical SMILES for 1-(2,5-dimethylfuran-3-yl)pentan-1-ol is CCCCC(O)c1cc(C)oc1C.
What is the InChIKey of 1-(2,5-dimethylfuran-3-yl)pentan-1-ol?
The InChIKey is FJKNMRPVWFTXHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-4-5-6-11(12)10-7-8(2)13-9(10)3/h7,11-12H,4-6H2,1-3H3.
What are the key properties of 1-(2,5-dimethylfuran-3-yl)pentan-1-ol?
1-(2,5-dimethylfuran-3-yl)pentan-1-ol has a molecular weight of 182.26 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylfuran-3-yl)pentan-1-ol is sourced from PubChem (CID 115783226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).