3-(4-hydroxy-4-methylpentyl)-2,5-dihydrofuran-2-ol

C10H18O3 — CID 135049829

IUPAC3-(4-hydroxy-4-methylpentyl)-2,5-dihydrofuran-2-ol
SMILESCC(C)(O)CCCC1=CCOC1O
InChIInChI=1S/C10H18O3/c1-10(2,12)6-3-4-8-5-7-13-9(8)11/h5,9,11-12H,3-4,6-7H2,1-2H3
InChIKeyHVFJKRVAFOLJIJ-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.20
Rot. Bonds4

About 3-(4-hydroxy-4-methylpentyl)-2,5-dihydrofuran-2-ol

3-(4-hydroxy-4-methylpentyl)-2,5-dihydrofuran-2-ol (PubChem CID 135049829) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is 3-(4-hydroxy-4-methylpentyl)-2,5-dihydrofuran-2-ol.

Molecular Properties

Compound Name3-(4-hydroxy-4-methylpentyl)-2,5-dihydrofuran-2-ol
PubChem CID135049829
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name3-(4-hydroxy-4-methylpentyl)-2,5-dihydrofuran-2-ol
SMILESCC(C)(O)CCCC1=CCOC1O
InChIInChI=1S/C10H18O3/c1-10(2,12)6-3-4-8-5-7-13-9(8)11/h5,9,11-12H,3-4,6-7H2,1-2H3
InChIKeyHVFJKRVAFOLJIJ-UHFFFAOYSA-N
XLogP1.20
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxy-4-methylpentyl)-2,5-dihydrofuran-2-ol?
The IUPAC name of 3-(4-hydroxy-4-methylpentyl)-2,5-dihydrofuran-2-ol (CID 135049829) is 3-(4-hydroxy-4-methylpentyl)-2,5-dihydrofuran-2-ol.
What is the SMILES notation for 3-(4-hydroxy-4-methylpentyl)-2,5-dihydrofuran-2-ol?
The canonical SMILES for 3-(4-hydroxy-4-methylpentyl)-2,5-dihydrofuran-2-ol is CC(C)(O)CCCC1=CCOC1O.
What is the InChIKey of 3-(4-hydroxy-4-methylpentyl)-2,5-dihydrofuran-2-ol?
The InChIKey is HVFJKRVAFOLJIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-10(2,12)6-3-4-8-5-7-13-9(8)11/h5,9,11-12H,3-4,6-7H2,1-2H3.
What are the key properties of 3-(4-hydroxy-4-methylpentyl)-2,5-dihydrofuran-2-ol?
3-(4-hydroxy-4-methylpentyl)-2,5-dihydrofuran-2-ol has a molecular weight of 186.25 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxy-4-methylpentyl)-2,5-dihydrofuran-2-ol is sourced from PubChem (CID 135049829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).