5-ethoxy-1-(furan-3-yl)pentan-2-ol

C11H18O3 — CID 105123168

IUPAC5-ethoxy-1-(furan-3-yl)pentan-2-ol
SMILESCCOCCCC(O)Cc1ccoc1
InChIInChI=1S/C11H18O3/c1-2-13-6-3-4-11(12)8-10-5-7-14-9-10/h5,7,9,11-12H,2-4,6,8H2,1H3
InChIKeyBWQBSGMXGWKIFN-UHFFFAOYSA-N
MW198.26 g/mol
LogP2.00
Rot. Bonds7

About 5-ethoxy-1-(furan-3-yl)pentan-2-ol

5-ethoxy-1-(furan-3-yl)pentan-2-ol (PubChem CID 105123168) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is 5-ethoxy-1-(furan-3-yl)pentan-2-ol.

Molecular Properties

Compound Name5-ethoxy-1-(furan-3-yl)pentan-2-ol
PubChem CID105123168
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Name5-ethoxy-1-(furan-3-yl)pentan-2-ol
SMILESCCOCCCC(O)Cc1ccoc1
InChIInChI=1S/C11H18O3/c1-2-13-6-3-4-11(12)8-10-5-7-14-9-10/h5,7,9,11-12H,2-4,6,8H2,1H3
InChIKeyBWQBSGMXGWKIFN-UHFFFAOYSA-N
XLogP2.00
TPSA42.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-ethoxy-1-(furan-3-yl)butan-2-amine
CID 105177800
1-(furan-3-yl)butan-2-ol
CID 83171486
4-ethoxy-N-ethyl-1-(furan-3-yl)butan-2-amine
CID 105177818
1-(furan-3-yl)-4-(2,2,2-trifluoroethoxy)butan-2-ol
CID 103147367
5-ethoxy-1-(1-methylpyrazol-4-yl)pentan-2-ol
CID 105082767
3-ethoxy-N-(furan-3-ylmethyl)propan-1-amine
CID 62997867
1-ethylsulfanyl-3-(furan-3-yl)propan-2-ol
CID 83174968
1-(furan-3-yl)-5-thiophen-2-ylpentan-2-ol
CID 105123144
4-ethoxy-1-(4-ethylphenyl)butan-2-ol
CID 105080275
1-(furan-3-yl)-3-(4-methylphenyl)propan-2-ol
CID 83171853
3-(ethoxymethyl)furan
CID 59154839
4-ethoxy-N-ethyl-1-(furan-3-yl)butan-1-amine
CID 105146625

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-1-(furan-3-yl)pentan-2-ol?
The IUPAC name of 5-ethoxy-1-(furan-3-yl)pentan-2-ol (CID 105123168) is 5-ethoxy-1-(furan-3-yl)pentan-2-ol.
What is the SMILES notation for 5-ethoxy-1-(furan-3-yl)pentan-2-ol?
The canonical SMILES for 5-ethoxy-1-(furan-3-yl)pentan-2-ol is CCOCCCC(O)Cc1ccoc1.
What is the InChIKey of 5-ethoxy-1-(furan-3-yl)pentan-2-ol?
The InChIKey is BWQBSGMXGWKIFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O3/c1-2-13-6-3-4-11(12)8-10-5-7-14-9-10/h5,7,9,11-12H,2-4,6,8H2,1H3.
What are the key properties of 5-ethoxy-1-(furan-3-yl)pentan-2-ol?
5-ethoxy-1-(furan-3-yl)pentan-2-ol has a molecular weight of 198.26 g/mol, XLogP of 2.00, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-1-(furan-3-yl)pentan-2-ol is sourced from PubChem (CID 105123168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).