3-methyl-1-(2,4,5-trimethylfuran-3-yl)pentan-1-ol

C13H22O2 — CID 115789282

IUPAC3-methyl-1-(2,4,5-trimethylfuran-3-yl)pentan-1-ol
SMILESCCC(C)CC(O)c1c(C)oc(C)c1C
InChIInChI=1S/C13H22O2/c1-6-8(2)7-12(14)13-9(3)10(4)15-11(13)5/h8,12,14H,6-7H2,1-5H3
InChIKeyKLOVYZSFBKKVSW-UHFFFAOYSA-N
MW210.32 g/mol
LogP3.67
Rot. Bonds4

About 3-methyl-1-(2,4,5-trimethylfuran-3-yl)pentan-1-ol

3-methyl-1-(2,4,5-trimethylfuran-3-yl)pentan-1-ol (PubChem CID 115789282) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is 3-methyl-1-(2,4,5-trimethylfuran-3-yl)pentan-1-ol.

Molecular Properties

Compound Name3-methyl-1-(2,4,5-trimethylfuran-3-yl)pentan-1-ol
PubChem CID115789282
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name3-methyl-1-(2,4,5-trimethylfuran-3-yl)pentan-1-ol
SMILESCCC(C)CC(O)c1c(C)oc(C)c1C
InChIInChI=1S/C13H22O2/c1-6-8(2)7-12(14)13-9(3)10(4)15-11(13)5/h8,12,14H,6-7H2,1-5H3
InChIKeyKLOVYZSFBKKVSW-UHFFFAOYSA-N
XLogP3.67
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-methyl-1-(2,4,5-trimethylfuran-3-yl)pentan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2,4,5-trimethylfuran-3-yl)pentan-1-ol?
The IUPAC name of 3-methyl-1-(2,4,5-trimethylfuran-3-yl)pentan-1-ol (CID 115789282) is 3-methyl-1-(2,4,5-trimethylfuran-3-yl)pentan-1-ol.
What is the SMILES notation for 3-methyl-1-(2,4,5-trimethylfuran-3-yl)pentan-1-ol?
The canonical SMILES for 3-methyl-1-(2,4,5-trimethylfuran-3-yl)pentan-1-ol is CCC(C)CC(O)c1c(C)oc(C)c1C.
What is the InChIKey of 3-methyl-1-(2,4,5-trimethylfuran-3-yl)pentan-1-ol?
The InChIKey is KLOVYZSFBKKVSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2/c1-6-8(2)7-12(14)13-9(3)10(4)15-11(13)5/h8,12,14H,6-7H2,1-5H3.
What are the key properties of 3-methyl-1-(2,4,5-trimethylfuran-3-yl)pentan-1-ol?
3-methyl-1-(2,4,5-trimethylfuran-3-yl)pentan-1-ol has a molecular weight of 210.32 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2,4,5-trimethylfuran-3-yl)pentan-1-ol is sourced from PubChem (CID 115789282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).