2-methyl-3-[4-(3-methyl-2,3-dihydrofuran-2-yl)pentan-2-yl]-2,5-dihydrofuran

C15H24O2 — CID 174171776

IUPAC2-methyl-3-[4-(3-methyl-2,3-dihydrofuran-2-yl)pentan-2-yl]-2,5-dihydrofuran
SMILESCC(CC(C)C1OC=CC1C)C1=CCOC1C
InChIInChI=1S/C15H24O2/c1-10-5-7-17-15(10)12(3)9-11(2)14-6-8-16-13(14)4/h5-7,10-13,15H,8-9H2,1-4H3
InChIKeyABHJGYFHNSVPLU-UHFFFAOYSA-N
MW236.35 g/mol
LogP3.54
Rot. Bonds4

About 2-methyl-3-[4-(3-methyl-2,3-dihydrofuran-2-yl)pentan-2-yl]-2,5-dihydrofuran

2-methyl-3-[4-(3-methyl-2,3-dihydrofuran-2-yl)pentan-2-yl]-2,5-dihydrofuran (PubChem CID 174171776) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is 2-methyl-3-[4-(3-methyl-2,3-dihydrofuran-2-yl)pentan-2-yl]-2,5-dihydrofuran.

Molecular Properties

Compound Name2-methyl-3-[4-(3-methyl-2,3-dihydrofuran-2-yl)pentan-2-yl]-2,5-dihydrofuran
PubChem CID174171776
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name2-methyl-3-[4-(3-methyl-2,3-dihydrofuran-2-yl)pentan-2-yl]-2,5-dihydrofuran
SMILESCC(CC(C)C1OC=CC1C)C1=CCOC1C
InChIInChI=1S/C15H24O2/c1-10-5-7-17-15(10)12(3)9-11(2)14-6-8-16-13(14)4/h5-7,10-13,15H,8-9H2,1-4H3
InChIKeyABHJGYFHNSVPLU-UHFFFAOYSA-N
XLogP3.54
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.54
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-3-[4-(3-methyl-2,3-dihydrofuran-2-yl)pentan-2-yl]-2,5-dihydrofuran?
The IUPAC name of 2-methyl-3-[4-(3-methyl-2,3-dihydrofuran-2-yl)pentan-2-yl]-2,5-dihydrofuran (CID 174171776) is 2-methyl-3-[4-(3-methyl-2,3-dihydrofuran-2-yl)pentan-2-yl]-2,5-dihydrofuran.
What is the SMILES notation for 2-methyl-3-[4-(3-methyl-2,3-dihydrofuran-2-yl)pentan-2-yl]-2,5-dihydrofuran?
The canonical SMILES for 2-methyl-3-[4-(3-methyl-2,3-dihydrofuran-2-yl)pentan-2-yl]-2,5-dihydrofuran is CC(CC(C)C1OC=CC1C)C1=CCOC1C.
What is the InChIKey of 2-methyl-3-[4-(3-methyl-2,3-dihydrofuran-2-yl)pentan-2-yl]-2,5-dihydrofuran?
The InChIKey is ABHJGYFHNSVPLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-10-5-7-17-15(10)12(3)9-11(2)14-6-8-16-13(14)4/h5-7,10-13,15H,8-9H2,1-4H3.
What are the key properties of 2-methyl-3-[4-(3-methyl-2,3-dihydrofuran-2-yl)pentan-2-yl]-2,5-dihydrofuran?
2-methyl-3-[4-(3-methyl-2,3-dihydrofuran-2-yl)pentan-2-yl]-2,5-dihydrofuran has a molecular weight of 236.35 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[4-(3-methyl-2,3-dihydrofuran-2-yl)pentan-2-yl]-2,5-dihydrofuran is sourced from PubChem (CID 174171776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).