2-methyl-5-[(2R,5S)-2-methyl-5-prop-1-en-2-yloxolan-2-yl]furan

C13H18O2 — CID 71365377

IUPAC2-methyl-5-[(2R,5S)-2-methyl-5-prop-1-en-2-yloxolan-2-yl]furan
SMILESC=C(C)[C@@H]1CC[C@](C)(c2ccc(C)o2)O1
InChIInChI=1S/C13H18O2/c1-9(2)11-7-8-13(4,15-11)12-6-5-10(3)14-12/h5-6,11H,1,7-8H2,2-4H3/t11-,13+/m0/s1
InChIKeyCCGNVBQNOBXWAI-WCQYABFASA-N
MW206.28 g/mol
LogP3.56
Rot. Bonds2

About 2-methyl-5-[(2R,5S)-2-methyl-5-prop-1-en-2-yloxolan-2-yl]furan

2-methyl-5-[(2R,5S)-2-methyl-5-prop-1-en-2-yloxolan-2-yl]furan (PubChem CID 71365377) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 2-methyl-5-[(2R,5S)-2-methyl-5-prop-1-en-2-yloxolan-2-yl]furan.

Molecular Properties

Compound Name2-methyl-5-[(2R,5S)-2-methyl-5-prop-1-en-2-yloxolan-2-yl]furan
PubChem CID71365377
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name2-methyl-5-[(2R,5S)-2-methyl-5-prop-1-en-2-yloxolan-2-yl]furan
SMILESC=C(C)[C@@H]1CC[C@](C)(c2ccc(C)o2)O1
InChIInChI=1S/C13H18O2/c1-9(2)11-7-8-13(4,15-11)12-6-5-10(3)14-12/h5-6,11H,1,7-8H2,2-4H3/t11-,13+/m0/s1
InChIKeyCCGNVBQNOBXWAI-WCQYABFASA-N
XLogP3.56
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 53.56
H-Bond Donors ≤ 50
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 2-methyl-5-[(2R,5S)-2-methyl-5-prop-1-en-2-yloxolan-2-yl]furan?
The IUPAC name of 2-methyl-5-[(2R,5S)-2-methyl-5-prop-1-en-2-yloxolan-2-yl]furan (CID 71365377) is 2-methyl-5-[(2R,5S)-2-methyl-5-prop-1-en-2-yloxolan-2-yl]furan.
What is the SMILES notation for 2-methyl-5-[(2R,5S)-2-methyl-5-prop-1-en-2-yloxolan-2-yl]furan?
The canonical SMILES for 2-methyl-5-[(2R,5S)-2-methyl-5-prop-1-en-2-yloxolan-2-yl]furan is C=C(C)[C@@H]1CC[C@](C)(c2ccc(C)o2)O1.
What is the InChIKey of 2-methyl-5-[(2R,5S)-2-methyl-5-prop-1-en-2-yloxolan-2-yl]furan?
The InChIKey is CCGNVBQNOBXWAI-WCQYABFASA-N. The full InChI is InChI=1S/C13H18O2/c1-9(2)11-7-8-13(4,15-11)12-6-5-10(3)14-12/h5-6,11H,1,7-8H2,2-4H3/t11-,13+/m0/s1.
What are the key properties of 2-methyl-5-[(2R,5S)-2-methyl-5-prop-1-en-2-yloxolan-2-yl]furan?
2-methyl-5-[(2R,5S)-2-methyl-5-prop-1-en-2-yloxolan-2-yl]furan has a molecular weight of 206.28 g/mol, XLogP of 3.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(2R,5S)-2-methyl-5-prop-1-en-2-yloxolan-2-yl]furan is sourced from PubChem (CID 71365377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).