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

C11H16O2 — CID 131218909

IUPAC2,2-dimethyl-1-(4-methylfuran-3-yl)cyclobutan-1-ol
SMILESCc1cocc1C1(O)CCC1(C)C
InChIInChI=1S/C11H16O2/c1-8-6-13-7-9(8)11(12)5-4-10(11,2)3/h6-7,12H,4-5H2,1-3H3
InChIKeyGTLLZOFUXDARKR-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.60
Rot. Bonds1

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

2,2-dimethyl-1-(4-methylfuran-3-yl)cyclobutan-1-ol (PubChem CID 131218909) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 2,2-dimethyl-1-(4-methylfuran-3-yl)cyclobutan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-1-(4-methylfuran-3-yl)cyclobutan-1-ol
PubChem CID131218909
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name2,2-dimethyl-1-(4-methylfuran-3-yl)cyclobutan-1-ol
SMILESCc1cocc1C1(O)CCC1(C)C
InChIInChI=1S/C11H16O2/c1-8-6-13-7-9(8)11(12)5-4-10(11,2)3/h6-7,12H,4-5H2,1-3H3
InChIKeyGTLLZOFUXDARKR-UHFFFAOYSA-N
XLogP2.60
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(4-methylfuran-3-yl)cyclobutan-1-ol?
The IUPAC name of 2,2-dimethyl-1-(4-methylfuran-3-yl)cyclobutan-1-ol (CID 131218909) is 2,2-dimethyl-1-(4-methylfuran-3-yl)cyclobutan-1-ol.
What is the SMILES notation for 2,2-dimethyl-1-(4-methylfuran-3-yl)cyclobutan-1-ol?
The canonical SMILES for 2,2-dimethyl-1-(4-methylfuran-3-yl)cyclobutan-1-ol is Cc1cocc1C1(O)CCC1(C)C.
What is the InChIKey of 2,2-dimethyl-1-(4-methylfuran-3-yl)cyclobutan-1-ol?
The InChIKey is GTLLZOFUXDARKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-8-6-13-7-9(8)11(12)5-4-10(11,2)3/h6-7,12H,4-5H2,1-3H3.
What are the key properties of 2,2-dimethyl-1-(4-methylfuran-3-yl)cyclobutan-1-ol?
2,2-dimethyl-1-(4-methylfuran-3-yl)cyclobutan-1-ol has a molecular weight of 180.25 g/mol, XLogP of 2.60, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(4-methylfuran-3-yl)cyclobutan-1-ol is sourced from PubChem (CID 131218909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).