(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)but-3-en-1-ol

C11H16O2 — CID 45139861

IUPAC(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)but-3-en-1-ol
SMILESC=CC(C)(C)[C@@H](O)c1ccc(C)o1
InChIInChI=1S/C11H16O2/c1-5-11(3,4)10(12)9-7-6-8(2)13-9/h5-7,10,12H,1H2,2-4H3/t10-/m0/s1
InChIKeyDYEFTWBYBRKJKX-JTQLQIEISA-N
MW180.25 g/mol
LogP2.83
Rot. Bonds3

About (1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)but-3-en-1-ol

(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)but-3-en-1-ol (PubChem CID 45139861) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is (1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)but-3-en-1-ol.

Molecular Properties

Compound Name(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)but-3-en-1-ol
PubChem CID45139861
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)but-3-en-1-ol
SMILESC=CC(C)(C)[C@@H](O)c1ccc(C)o1
InChIInChI=1S/C11H16O2/c1-5-11(3,4)10(12)9-7-6-8(2)13-9/h5-7,10,12H,1H2,2-4H3/t10-/m0/s1
InChIKeyDYEFTWBYBRKJKX-JTQLQIEISA-N
XLogP2.83
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)but-3-en-1-ol?
The IUPAC name of (1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)but-3-en-1-ol (CID 45139861) is (1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)but-3-en-1-ol.
What is the SMILES notation for (1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)but-3-en-1-ol?
The canonical SMILES for (1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)but-3-en-1-ol is C=CC(C)(C)[C@@H](O)c1ccc(C)o1.
What is the InChIKey of (1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)but-3-en-1-ol?
The InChIKey is DYEFTWBYBRKJKX-JTQLQIEISA-N. The full InChI is InChI=1S/C11H16O2/c1-5-11(3,4)10(12)9-7-6-8(2)13-9/h5-7,10,12H,1H2,2-4H3/t10-/m0/s1.
What are the key properties of (1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)but-3-en-1-ol?
(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)but-3-en-1-ol has a molecular weight of 180.25 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)but-3-en-1-ol is sourced from PubChem (CID 45139861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).