2-(3,3-dimethylbutan-2-yl)-5-methylfuran

C11H18O — CID 77433390

IUPAC2-(3,3-dimethylbutan-2-yl)-5-methylfuran
SMILESCc1ccc(C(C)C(C)(C)C)o1
InChIInChI=1S/C11H18O/c1-8-6-7-10(12-8)9(2)11(3,4)5/h6-7,9H,1-5H3
InChIKeyUXDLPHPZGNEAAL-UHFFFAOYSA-N
MW166.26 g/mol
LogP3.74
Rot. Bonds1

About 2-(3,3-dimethylbutan-2-yl)-5-methylfuran

2-(3,3-dimethylbutan-2-yl)-5-methylfuran (PubChem CID 77433390) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is 2-(3,3-dimethylbutan-2-yl)-5-methylfuran.

Molecular Properties

Compound Name2-(3,3-dimethylbutan-2-yl)-5-methylfuran
PubChem CID77433390
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name2-(3,3-dimethylbutan-2-yl)-5-methylfuran
SMILESCc1ccc(C(C)C(C)(C)C)o1
InChIInChI=1S/C11H18O/c1-8-6-7-10(12-8)9(2)11(3,4)5/h6-7,9H,1-5H3
InChIKeyUXDLPHPZGNEAAL-UHFFFAOYSA-N
XLogP3.74
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-5-[(2S)-3-methylbutan-2-yl]furan
CID 59302907
2-methyl-1-(5-methylfuran-2-yl)propan-1-amine;hydrochloride
CID 86263157
2-amino-2-methyl-1-(5-methylfuran-2-yl)propan-1-ol
CID 82412815
O-[1-(5-methylfuran-2-yl)ethyl]hydroxylamine
CID 117104825
2-(5-methylfuran-2-yl)propanenitrile
CID 43316778
2-[[4-[bis(5-methylfuran-2-yl)methyl]phenyl]-(5-methylfuran-2-yl)methyl]-5-methylfuran
CID 2751428
(2R)-2-amino-3,3-dimethyl-N-[1-(5-methylfuran-2-yl)ethyl]butanamide
CID 103928680
2-hydroxy-2-methyl-N-[1-(5-methylfuran-2-yl)ethyl]propanamide
CID 104936607
(1S,2R)-1-amino-1-(5-methylfuran-2-yl)propan-2-ol
CID 131206305
2-methyl-5-(1-phenylethyl)furan
CID 101473282
(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)but-3-en-1-ol
CID 45139861
(1R)-4-methyl-1-(5-methylfuran-2-yl)pent-2-yne-1,4-diol
CID 699020

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethylbutan-2-yl)-5-methylfuran?
The IUPAC name of 2-(3,3-dimethylbutan-2-yl)-5-methylfuran (CID 77433390) is 2-(3,3-dimethylbutan-2-yl)-5-methylfuran.
What is the SMILES notation for 2-(3,3-dimethylbutan-2-yl)-5-methylfuran?
The canonical SMILES for 2-(3,3-dimethylbutan-2-yl)-5-methylfuran is Cc1ccc(C(C)C(C)(C)C)o1.
What is the InChIKey of 2-(3,3-dimethylbutan-2-yl)-5-methylfuran?
The InChIKey is UXDLPHPZGNEAAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O/c1-8-6-7-10(12-8)9(2)11(3,4)5/h6-7,9H,1-5H3.
What are the key properties of 2-(3,3-dimethylbutan-2-yl)-5-methylfuran?
2-(3,3-dimethylbutan-2-yl)-5-methylfuran has a molecular weight of 166.26 g/mol, XLogP of 3.74, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethylbutan-2-yl)-5-methylfuran is sourced from PubChem (CID 77433390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).