4-methyl-1-(2-methylfuran-3-yl)pentan-1-ol

C11H18O2 — CID 104789423

IUPAC4-methyl-1-(2-methylfuran-3-yl)pentan-1-ol
SMILESCc1occc1C(O)CCC(C)C
InChIInChI=1S/C11H18O2/c1-8(2)4-5-11(12)10-6-7-13-9(10)3/h6-8,11-12H,4-5H2,1-3H3
InChIKeyXOGGQNDWJMRMEW-UHFFFAOYSA-N
MW182.26 g/mol
LogP3.06
Rot. Bonds4

About 4-methyl-1-(2-methylfuran-3-yl)pentan-1-ol

4-methyl-1-(2-methylfuran-3-yl)pentan-1-ol (PubChem CID 104789423) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 4-methyl-1-(2-methylfuran-3-yl)pentan-1-ol.

Molecular Properties

Compound Name4-methyl-1-(2-methylfuran-3-yl)pentan-1-ol
PubChem CID104789423
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name4-methyl-1-(2-methylfuran-3-yl)pentan-1-ol
SMILESCc1occc1C(O)CCC(C)C
InChIInChI=1S/C11H18O2/c1-8(2)4-5-11(12)10-6-7-13-9(10)3/h6-8,11-12H,4-5H2,1-3H3
InChIKeyXOGGQNDWJMRMEW-UHFFFAOYSA-N
XLogP3.06
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-methyl-1-(2-methylfuran-3-yl)hexan-1-ol
CID 104789560
1-(2-methylfuran-3-yl)butan-1-ol
CID 104789531
2-(3,5-dimethylphenyl)-1-(2-methylfuran-3-yl)ethanol
CID 104789418
1-(2-chlorofuran-3-yl)-5-methylhexan-1-ol
CID 106693965
1-(2-methylfuran-3-yl)-2-(1,3-thiazol-5-yl)ethanol
CID 104789529
1-(2-methylfuran-3-yl)-2-pyridin-3-ylethanol
CID 104789605
4-methyl-1-(4-methyl-3-pyridinyl)pentan-1-ol
CID 66272896
2,2,2-trifluoro-1-(2-methylfuran-3-yl)ethanol
CID 130846062
1-(5-fluoro-2-methylphenyl)-4-methylpentan-1-ol
CID 62606774
N-methyl-1-(2-methylfuran-3-yl)ethanamine
CID 104789901
1-(2-methylfuran-3-yl)butan-1-amine
CID 82416832
2-(3-bromo-5-fluorophenyl)-1-(2-methylfuran-3-yl)ethanol
CID 113453302

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(2-methylfuran-3-yl)pentan-1-ol?
The IUPAC name of 4-methyl-1-(2-methylfuran-3-yl)pentan-1-ol (CID 104789423) is 4-methyl-1-(2-methylfuran-3-yl)pentan-1-ol.
What is the SMILES notation for 4-methyl-1-(2-methylfuran-3-yl)pentan-1-ol?
The canonical SMILES for 4-methyl-1-(2-methylfuran-3-yl)pentan-1-ol is Cc1occc1C(O)CCC(C)C.
What is the InChIKey of 4-methyl-1-(2-methylfuran-3-yl)pentan-1-ol?
The InChIKey is XOGGQNDWJMRMEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-8(2)4-5-11(12)10-6-7-13-9(10)3/h6-8,11-12H,4-5H2,1-3H3.
What are the key properties of 4-methyl-1-(2-methylfuran-3-yl)pentan-1-ol?
4-methyl-1-(2-methylfuran-3-yl)pentan-1-ol has a molecular weight of 182.26 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(2-methylfuran-3-yl)pentan-1-ol is sourced from PubChem (CID 104789423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).