[2-(butoxymethyl)-3H-furan-2-yl]methanol

C10H18O3 — CID 141483960

IUPAC[2-(butoxymethyl)-3H-furan-2-yl]methanol
SMILESCCCCOCC1(CO)CC=CO1
InChIInChI=1S/C10H18O3/c1-2-3-6-12-9-10(8-11)5-4-7-13-10/h4,7,11H,2-3,5-6,8-9H2,1H3
InChIKeyBWPAAPVHWQPXJJ-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.47
Rot. Bonds6

About [2-(butoxymethyl)-3H-furan-2-yl]methanol

[2-(butoxymethyl)-3H-furan-2-yl]methanol (PubChem CID 141483960) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is [2-(butoxymethyl)-3H-furan-2-yl]methanol.

Molecular Properties

Compound Name[2-(butoxymethyl)-3H-furan-2-yl]methanol
PubChem CID141483960
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name[2-(butoxymethyl)-3H-furan-2-yl]methanol
SMILESCCCCOCC1(CO)CC=CO1
InChIInChI=1S/C10H18O3/c1-2-3-6-12-9-10(8-11)5-4-7-13-10/h4,7,11H,2-3,5-6,8-9H2,1H3
InChIKeyBWPAAPVHWQPXJJ-UHFFFAOYSA-N
XLogP1.47
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.47
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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Frequently Asked Questions

What is the IUPAC name of [2-(butoxymethyl)-3H-furan-2-yl]methanol?
The IUPAC name of [2-(butoxymethyl)-3H-furan-2-yl]methanol (CID 141483960) is [2-(butoxymethyl)-3H-furan-2-yl]methanol.
What is the SMILES notation for [2-(butoxymethyl)-3H-furan-2-yl]methanol?
The canonical SMILES for [2-(butoxymethyl)-3H-furan-2-yl]methanol is CCCCOCC1(CO)CC=CO1.
What is the InChIKey of [2-(butoxymethyl)-3H-furan-2-yl]methanol?
The InChIKey is BWPAAPVHWQPXJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-2-3-6-12-9-10(8-11)5-4-7-13-10/h4,7,11H,2-3,5-6,8-9H2,1H3.
What are the key properties of [2-(butoxymethyl)-3H-furan-2-yl]methanol?
[2-(butoxymethyl)-3H-furan-2-yl]methanol has a molecular weight of 186.25 g/mol, XLogP of 1.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(butoxymethyl)-3H-furan-2-yl]methanol is sourced from PubChem (CID 141483960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).