2-(2,2-dimethylpropyl)-5-methylfuran

C10H16O — CID 23568486

IUPAC2-(2,2-dimethylpropyl)-5-methylfuran
SMILESCc1ccc(CC(C)(C)C)o1
InChIInChI=1S/C10H16O/c1-8-5-6-9(11-8)7-10(2,3)4/h5-6H,7H2,1-4H3
InChIKeyXOTGDDINFBTAQP-UHFFFAOYSA-N
MW152.24 g/mol
LogP3.18
Rot. Bonds1

About 2-(2,2-dimethylpropyl)-5-methylfuran

2-(2,2-dimethylpropyl)-5-methylfuran (PubChem CID 23568486) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 2-(2,2-dimethylpropyl)-5-methylfuran.

Molecular Properties

Compound Name2-(2,2-dimethylpropyl)-5-methylfuran
PubChem CID23568486
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name2-(2,2-dimethylpropyl)-5-methylfuran
SMILESCc1ccc(CC(C)(C)C)o1
InChIInChI=1S/C10H16O/c1-8-5-6-9(11-8)7-10(2,3)4/h5-6H,7H2,1-4H3
InChIKeyXOTGDDINFBTAQP-UHFFFAOYSA-N
XLogP3.18
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-2-methyl-3-(5-methylfuran-2-yl)propane-1,2-diol
CID 130626365
2,4,4-trimethyl-N-[(5-methylfuran-2-yl)methyl]pentan-2-amine
CID 43434212
2-(3-ethyl-3-methylpentyl)-5-methylfuran
CID 54437486
azane;(5-methylfuran-2-yl)methanol
CID 175565780
ethoxyethane;2-(ethoxymethyl)-5-methylfuran
CID 118958545
ethyl 5-(2,2-dimethylpropyl)furan-2-carboxylate
CID 59637083
methyl 2-cyano-2-methyl-3-(5-methylfuran-2-yl)propanoate
CID 126553395
2-methyl-1-[methyl-[(5-methylfuran-2-yl)methyl]amino]propan-2-ol
CID 60886966
2-(2-chlorobut-2-enyl)-5-methylfuran
CID 174535453
2-(5-methylfuran-2-yl)acetonitrile
CID 11126236
ethane;2-(5-methylfuran-2-yl)ethanol
CID 142104864
cyclopropane;ethane;2-ethyl-5-methylfuran
CID 142234007

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropyl)-5-methylfuran?
The IUPAC name of 2-(2,2-dimethylpropyl)-5-methylfuran (CID 23568486) is 2-(2,2-dimethylpropyl)-5-methylfuran.
What is the SMILES notation for 2-(2,2-dimethylpropyl)-5-methylfuran?
The canonical SMILES for 2-(2,2-dimethylpropyl)-5-methylfuran is Cc1ccc(CC(C)(C)C)o1.
What is the InChIKey of 2-(2,2-dimethylpropyl)-5-methylfuran?
The InChIKey is XOTGDDINFBTAQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-8-5-6-9(11-8)7-10(2,3)4/h5-6H,7H2,1-4H3.
What are the key properties of 2-(2,2-dimethylpropyl)-5-methylfuran?
2-(2,2-dimethylpropyl)-5-methylfuran has a molecular weight of 152.24 g/mol, XLogP of 3.18, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropyl)-5-methylfuran is sourced from PubChem (CID 23568486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).