2-methyl-5-[(2R,5S)-2-methyl-5-propan-2-yloxolan-2-yl]furan

C13H20O2 — CID 71365375

IUPAC2-methyl-5-[(2R,5S)-2-methyl-5-propan-2-yloxolan-2-yl]furan
SMILESCc1ccc([C@@]2(C)CC[C@@H](C(C)C)O2)o1
InChIInChI=1S/C13H20O2/c1-9(2)11-7-8-13(4,15-11)12-6-5-10(3)14-12/h5-6,9,11H,7-8H2,1-4H3/t11-,13+/m0/s1
InChIKeyOTCYDBRXABTHJM-WCQYABFASA-N
MW208.30 g/mol
LogP3.64
Rot. Bonds2

About 2-methyl-5-[(2R,5S)-2-methyl-5-propan-2-yloxolan-2-yl]furan

2-methyl-5-[(2R,5S)-2-methyl-5-propan-2-yloxolan-2-yl]furan (PubChem CID 71365375) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 2-methyl-5-[(2R,5S)-2-methyl-5-propan-2-yloxolan-2-yl]furan.

Molecular Properties

Compound Name2-methyl-5-[(2R,5S)-2-methyl-5-propan-2-yloxolan-2-yl]furan
PubChem CID71365375
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name2-methyl-5-[(2R,5S)-2-methyl-5-propan-2-yloxolan-2-yl]furan
SMILESCc1ccc([C@@]2(C)CC[C@@H](C(C)C)O2)o1
InChIInChI=1S/C13H20O2/c1-9(2)11-7-8-13(4,15-11)12-6-5-10(3)14-12/h5-6,9,11H,7-8H2,1-4H3/t11-,13+/m0/s1
InChIKeyOTCYDBRXABTHJM-WCQYABFASA-N
XLogP3.64
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(2R,5S)-2-methyl-5-propan-2-yloxolan-2-yl]furan?
The IUPAC name of 2-methyl-5-[(2R,5S)-2-methyl-5-propan-2-yloxolan-2-yl]furan (CID 71365375) is 2-methyl-5-[(2R,5S)-2-methyl-5-propan-2-yloxolan-2-yl]furan.
What is the SMILES notation for 2-methyl-5-[(2R,5S)-2-methyl-5-propan-2-yloxolan-2-yl]furan?
The canonical SMILES for 2-methyl-5-[(2R,5S)-2-methyl-5-propan-2-yloxolan-2-yl]furan is Cc1ccc([C@@]2(C)CC[C@@H](C(C)C)O2)o1.
What is the InChIKey of 2-methyl-5-[(2R,5S)-2-methyl-5-propan-2-yloxolan-2-yl]furan?
The InChIKey is OTCYDBRXABTHJM-WCQYABFASA-N. The full InChI is InChI=1S/C13H20O2/c1-9(2)11-7-8-13(4,15-11)12-6-5-10(3)14-12/h5-6,9,11H,7-8H2,1-4H3/t11-,13+/m0/s1.
What are the key properties of 2-methyl-5-[(2R,5S)-2-methyl-5-propan-2-yloxolan-2-yl]furan?
2-methyl-5-[(2R,5S)-2-methyl-5-propan-2-yloxolan-2-yl]furan has a molecular weight of 208.30 g/mol, XLogP of 3.64, 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-propan-2-yloxolan-2-yl]furan is sourced from PubChem (CID 71365375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).