2-(hexan-2-yloxymethyl)furan

C11H18O2 — CID 141468564

IUPAC2-(hexan-2-yloxymethyl)furan
SMILESCCCCC(C)OCc1ccco1
InChIInChI=1S/C11H18O2/c1-3-4-6-10(2)13-9-11-7-5-8-12-11/h5,7-8,10H,3-4,6,9H2,1-2H3
InChIKeySVVHOZBOWQKDRL-UHFFFAOYSA-N
MW182.26 g/mol
LogP3.37
Rot. Bonds6

About 2-(hexan-2-yloxymethyl)furan

2-(hexan-2-yloxymethyl)furan (PubChem CID 141468564) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 2-(hexan-2-yloxymethyl)furan.

Molecular Properties

Compound Name2-(hexan-2-yloxymethyl)furan
PubChem CID141468564
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name2-(hexan-2-yloxymethyl)furan
SMILESCCCCC(C)OCc1ccco1
InChIInChI=1S/C11H18O2/c1-3-4-6-10(2)13-9-11-7-5-8-12-11/h5,7-8,10H,3-4,6,9H2,1-2H3
InChIKeySVVHOZBOWQKDRL-UHFFFAOYSA-N
XLogP3.37
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(hexan-2-yloxymethyl)furan?
The IUPAC name of 2-(hexan-2-yloxymethyl)furan (CID 141468564) is 2-(hexan-2-yloxymethyl)furan.
What is the SMILES notation for 2-(hexan-2-yloxymethyl)furan?
The canonical SMILES for 2-(hexan-2-yloxymethyl)furan is CCCCC(C)OCc1ccco1.
What is the InChIKey of 2-(hexan-2-yloxymethyl)furan?
The InChIKey is SVVHOZBOWQKDRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-3-4-6-10(2)13-9-11-7-5-8-12-11/h5,7-8,10H,3-4,6,9H2,1-2H3.
What are the key properties of 2-(hexan-2-yloxymethyl)furan?
2-(hexan-2-yloxymethyl)furan has a molecular weight of 182.26 g/mol, XLogP of 3.37, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hexan-2-yloxymethyl)furan is sourced from PubChem (CID 141468564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).