2-[[(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methyl]-5-prop-2-ynylfuran

C17H22O — CID 141219702

IUPAC2-[[(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methyl]-5-prop-2-ynylfuran
SMILESC#CCc1ccc(C[C@@H]2[C@@H](C=C(C)C)C2(C)C)o1
InChIInChI=1S/C17H22O/c1-6-7-13-8-9-14(18-13)11-16-15(10-12(2)3)17(16,4)5/h1,8-10,15-16H,7,11H2,2-5H3/t15-,16-/m1/s1
InChIKeyYGIIRKLWZIYIPS-HZPDHXFCSA-N
MW242.36 g/mol
LogP4.24
Rot. Bonds4

About 2-[[(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methyl]-5-prop-2-ynylfuran

2-[[(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methyl]-5-prop-2-ynylfuran (PubChem CID 141219702) has the molecular formula C17H22O and a molecular weight of 242.36 g/mol. Its IUPAC name is 2-[[(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methyl]-5-prop-2-ynylfuran.

Molecular Properties

Compound Name2-[[(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methyl]-5-prop-2-ynylfuran
PubChem CID141219702
Molecular FormulaC17H22O
Molecular Weight242.36 g/mol
Exact Mass242.17
IUPAC Name2-[[(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methyl]-5-prop-2-ynylfuran
SMILESC#CCc1ccc(C[C@@H]2[C@@H](C=C(C)C)C2(C)C)o1
InChIInChI=1S/C17H22O/c1-6-7-13-8-9-14(18-13)11-16-15(10-12(2)3)17(16,4)5/h1,8-10,15-16H,7,11H2,2-5H3/t15-,16-/m1/s1
InChIKeyYGIIRKLWZIYIPS-HZPDHXFCSA-N
XLogP4.24
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methyl]-5-prop-2-ynylfuran?
The IUPAC name of 2-[[(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methyl]-5-prop-2-ynylfuran (CID 141219702) is 2-[[(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methyl]-5-prop-2-ynylfuran.
What is the SMILES notation for 2-[[(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methyl]-5-prop-2-ynylfuran?
The canonical SMILES for 2-[[(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methyl]-5-prop-2-ynylfuran is C#CCc1ccc(C[C@@H]2[C@@H](C=C(C)C)C2(C)C)o1.
What is the InChIKey of 2-[[(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methyl]-5-prop-2-ynylfuran?
The InChIKey is YGIIRKLWZIYIPS-HZPDHXFCSA-N. The full InChI is InChI=1S/C17H22O/c1-6-7-13-8-9-14(18-13)11-16-15(10-12(2)3)17(16,4)5/h1,8-10,15-16H,7,11H2,2-5H3/t15-,16-/m1/s1.
What are the key properties of 2-[[(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methyl]-5-prop-2-ynylfuran?
2-[[(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methyl]-5-prop-2-ynylfuran has a molecular weight of 242.36 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methyl]-5-prop-2-ynylfuran is sourced from PubChem (CID 141219702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).