4,4-dimethyl-1-(3-methylfuran-2-yl)pentan-1-ol

C12H20O2 — CID 104800841

IUPAC4,4-dimethyl-1-(3-methylfuran-2-yl)pentan-1-ol
SMILESCc1ccoc1C(O)CCC(C)(C)C
InChIInChI=1S/C12H20O2/c1-9-6-8-14-11(9)10(13)5-7-12(2,3)4/h6,8,10,13H,5,7H2,1-4H3
InChIKeyZCJCYVHELLDWOK-UHFFFAOYSA-N
MW196.29 g/mol
LogP3.45
Rot. Bonds3

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

4,4-dimethyl-1-(3-methylfuran-2-yl)pentan-1-ol (PubChem CID 104800841) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 4,4-dimethyl-1-(3-methylfuran-2-yl)pentan-1-ol.

Molecular Properties

Compound Name4,4-dimethyl-1-(3-methylfuran-2-yl)pentan-1-ol
PubChem CID104800841
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name4,4-dimethyl-1-(3-methylfuran-2-yl)pentan-1-ol
SMILESCc1ccoc1C(O)CCC(C)(C)C
InChIInChI=1S/C12H20O2/c1-9-6-8-14-11(9)10(13)5-7-12(2,3)4/h6,8,10,13H,5,7H2,1-4H3
InChIKeyZCJCYVHELLDWOK-UHFFFAOYSA-N
XLogP3.45
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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

1-(3-methylfuran-2-yl)nonan-1-ol
CID 104800699
1-(3-methylfuran-2-yl)-2-phenylethanol
CID 63016431
2-(4-ethylphenyl)-1-(3-methylfuran-2-yl)ethanol
CID 104800627
4,4-dimethyl-1-(2-methylphenyl)pentan-1-ol
CID 62608573
1-(3-methylfuran-2-yl)-3-thiophen-3-ylpropan-1-ol
CID 104800835
1-(3-methylfuran-2-yl)-2-(2-methylphenyl)ethanol
CID 63017347
2-(2,6-dichlorophenyl)-1-(3-methylfuran-2-yl)ethanol
CID 104800869
1-(2,5-dimethylphenyl)-4,4-dimethylpentan-1-ol
CID 65148482
1-(5-bromofuran-2-yl)-4,4-dimethylpentan-1-ol
CID 65150580
2-(difluoromethyl)-3-methylfuran
CID 99986071
2-butan-2-yl-3-methylfuran
CID 89080868
1-(3-methylfuran-2-yl)-2-(1-methylimidazol-2-yl)ethanol
CID 104800764

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-(3-methylfuran-2-yl)pentan-1-ol?
The IUPAC name of 4,4-dimethyl-1-(3-methylfuran-2-yl)pentan-1-ol (CID 104800841) is 4,4-dimethyl-1-(3-methylfuran-2-yl)pentan-1-ol.
What is the SMILES notation for 4,4-dimethyl-1-(3-methylfuran-2-yl)pentan-1-ol?
The canonical SMILES for 4,4-dimethyl-1-(3-methylfuran-2-yl)pentan-1-ol is Cc1ccoc1C(O)CCC(C)(C)C.
What is the InChIKey of 4,4-dimethyl-1-(3-methylfuran-2-yl)pentan-1-ol?
The InChIKey is ZCJCYVHELLDWOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-9-6-8-14-11(9)10(13)5-7-12(2,3)4/h6,8,10,13H,5,7H2,1-4H3.
What are the key properties of 4,4-dimethyl-1-(3-methylfuran-2-yl)pentan-1-ol?
4,4-dimethyl-1-(3-methylfuran-2-yl)pentan-1-ol has a molecular weight of 196.29 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-(3-methylfuran-2-yl)pentan-1-ol is sourced from PubChem (CID 104800841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).