5-methyl-1-(2-methylfuran-3-yl)hexan-1-ol

C12H20O2 — CID 104789560

IUPAC5-methyl-1-(2-methylfuran-3-yl)hexan-1-ol
SMILESCc1occc1C(O)CCCC(C)C
InChIInChI=1S/C12H20O2/c1-9(2)5-4-6-12(13)11-7-8-14-10(11)3/h7-9,12-13H,4-6H2,1-3H3
InChIKeyFIDWBQGQHHNHQI-UHFFFAOYSA-N
MW196.29 g/mol
LogP3.45
Rot. Bonds5

About 5-methyl-1-(2-methylfuran-3-yl)hexan-1-ol

5-methyl-1-(2-methylfuran-3-yl)hexan-1-ol (PubChem CID 104789560) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 5-methyl-1-(2-methylfuran-3-yl)hexan-1-ol.

Molecular Properties

Compound Name5-methyl-1-(2-methylfuran-3-yl)hexan-1-ol
PubChem CID104789560
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name5-methyl-1-(2-methylfuran-3-yl)hexan-1-ol
SMILESCc1occc1C(O)CCCC(C)C
InChIInChI=1S/C12H20O2/c1-9(2)5-4-6-12(13)11-7-8-14-10(11)3/h7-9,12-13H,4-6H2,1-3H3
InChIKeyFIDWBQGQHHNHQI-UHFFFAOYSA-N
XLogP3.45
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-1-(2-methylfuran-3-yl)pentan-1-ol
CID 104789423
1-(2-methylfuran-3-yl)butan-1-ol
CID 104789531
1-(2-chlorofuran-3-yl)-5-methylhexan-1-ol
CID 106693965
2-(3,5-dimethylphenyl)-1-(2-methylfuran-3-yl)ethanol
CID 104789418
1-(2-iodophenyl)-5-methylhexan-1-ol
CID 115829982
1-(2,5-dimethylphenyl)-5-methylhexan-1-ol
CID 83158845
N-methyl-1-(2-methylfuran-3-yl)ethanamine
CID 104789901
5-methyl-1-phenylhexan-1-ol
CID 10997859
1-(2-tert-butylphenyl)-5-methylhexan-1-ol
CID 115829952
1-(2-bromo-3-methylphenyl)-5-methylhexan-1-ol
CID 107985814
1-(2-methylfuran-3-yl)-2-pyridin-3-ylethanol
CID 104789605
1-(2-methylfuran-3-yl)-2-(1,3-thiazol-5-yl)ethanol
CID 104789529

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(2-methylfuran-3-yl)hexan-1-ol?
The IUPAC name of 5-methyl-1-(2-methylfuran-3-yl)hexan-1-ol (CID 104789560) is 5-methyl-1-(2-methylfuran-3-yl)hexan-1-ol.
What is the SMILES notation for 5-methyl-1-(2-methylfuran-3-yl)hexan-1-ol?
The canonical SMILES for 5-methyl-1-(2-methylfuran-3-yl)hexan-1-ol is Cc1occc1C(O)CCCC(C)C.
What is the InChIKey of 5-methyl-1-(2-methylfuran-3-yl)hexan-1-ol?
The InChIKey is FIDWBQGQHHNHQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-9(2)5-4-6-12(13)11-7-8-14-10(11)3/h7-9,12-13H,4-6H2,1-3H3.
What are the key properties of 5-methyl-1-(2-methylfuran-3-yl)hexan-1-ol?
5-methyl-1-(2-methylfuran-3-yl)hexan-1-ol has a molecular weight of 196.29 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(2-methylfuran-3-yl)hexan-1-ol is sourced from PubChem (CID 104789560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).