2-(furan-3-yl)-5-methoxy-5-methylhexan-2-ol

C12H20O3 — CID 103035230

IUPAC2-(furan-3-yl)-5-methoxy-5-methylhexan-2-ol
SMILESCOC(C)(C)CCC(C)(O)c1ccoc1
InChIInChI=1S/C12H20O3/c1-11(2,14-4)6-7-12(3,13)10-5-8-15-9-10/h5,8-9,13H,6-7H2,1-4H3
InChIKeyWDLDPASFKOADCG-UHFFFAOYSA-N
MW212.29 g/mol
LogP2.69
Rot. Bonds5

About 2-(furan-3-yl)-5-methoxy-5-methylhexan-2-ol

2-(furan-3-yl)-5-methoxy-5-methylhexan-2-ol (PubChem CID 103035230) has the molecular formula C12H20O3 and a molecular weight of 212.29 g/mol. Its IUPAC name is 2-(furan-3-yl)-5-methoxy-5-methylhexan-2-ol.

Molecular Properties

Compound Name2-(furan-3-yl)-5-methoxy-5-methylhexan-2-ol
PubChem CID103035230
Molecular FormulaC12H20O3
Molecular Weight212.29 g/mol
Exact Mass212.14
IUPAC Name2-(furan-3-yl)-5-methoxy-5-methylhexan-2-ol
SMILESCOC(C)(C)CCC(C)(O)c1ccoc1
InChIInChI=1S/C12H20O3/c1-11(2,14-4)6-7-12(3,13)10-5-8-15-9-10/h5,8-9,13H,6-7H2,1-4H3
InChIKeyWDLDPASFKOADCG-UHFFFAOYSA-N
XLogP2.69
TPSA42.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Ipomeanol
CID 36284
Fraxinellone
CID 124039
1-(3-Furyl)-4-methyl-1-pentanone
CID 68381
1-(Furan-3-yl)-4-hydroxy-4,8-dimethylnonane-1,6-dione
CID 41493
1-(3-Furanyl)-6,7-dihydroxy-4,8-dimethyl-1-nonanone
CID 47945
1-(5-(Furan-3-yl)-2-methyloxolan-2-yl)-4-methylpentan-2-one
CID 99899
9Beta-Hydroxyfraxinellone
CID 478833
3-Furan-3-yl-3a,7-dimethyl-3a,4,5,6-tetrahydro-3H-isobenzofuran-1-one
CID 500095
Ipomeanine
CID 100689
3-Furanmethanol, 5-(phenylmethyl)-
CID 12364396
1-(Furan-3-yl)-7-hydroxy-4,8-dimethylnonane-1,6-dione
CID 40303
2,3'-Bifuran, 2,3,4,5-tetrahydro-5-methyl-5-[(4-methyl-2-furanyl)methyl]-
CID 591897

Frequently Asked Questions

What is the IUPAC name of 2-(furan-3-yl)-5-methoxy-5-methylhexan-2-ol?
The IUPAC name of 2-(furan-3-yl)-5-methoxy-5-methylhexan-2-ol (CID 103035230) is 2-(furan-3-yl)-5-methoxy-5-methylhexan-2-ol.
What is the SMILES notation for 2-(furan-3-yl)-5-methoxy-5-methylhexan-2-ol?
The canonical SMILES for 2-(furan-3-yl)-5-methoxy-5-methylhexan-2-ol is COC(C)(C)CCC(C)(O)c1ccoc1.
What is the InChIKey of 2-(furan-3-yl)-5-methoxy-5-methylhexan-2-ol?
The InChIKey is WDLDPASFKOADCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O3/c1-11(2,14-4)6-7-12(3,13)10-5-8-15-9-10/h5,8-9,13H,6-7H2,1-4H3.
What are the key properties of 2-(furan-3-yl)-5-methoxy-5-methylhexan-2-ol?
2-(furan-3-yl)-5-methoxy-5-methylhexan-2-ol has a molecular weight of 212.29 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-3-yl)-5-methoxy-5-methylhexan-2-ol is sourced from PubChem (CID 103035230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).