3a-butyl-6a-(3-methylphenyl)-2,3,4,5-tetrahydrofuro[2,3-b]furan

C17H24O2 — CID 67978634

IUPAC3a-butyl-6a-(3-methylphenyl)-2,3,4,5-tetrahydrofuro[2,3-b]furan
SMILESCCCCC12CCOC1(c1cccc(C)c1)OCC2
InChIInChI=1S/C17H24O2/c1-3-4-8-16-9-11-18-17(16,19-12-10-16)15-7-5-6-14(2)13-15/h5-7,13H,3-4,8-12H2,1-2H3
InChIKeyCLCTUWGADRKUGJ-UHFFFAOYSA-N
MW260.38 g/mol
LogP4.17
Rot. Bonds4

About 3a-butyl-6a-(3-methylphenyl)-2,3,4,5-tetrahydrofuro[2,3-b]furan

3a-butyl-6a-(3-methylphenyl)-2,3,4,5-tetrahydrofuro[2,3-b]furan (PubChem CID 67978634) has the molecular formula C17H24O2 and a molecular weight of 260.38 g/mol. Its IUPAC name is 3a-butyl-6a-(3-methylphenyl)-2,3,4,5-tetrahydrofuro[2,3-b]furan.

Molecular Properties

Compound Name3a-butyl-6a-(3-methylphenyl)-2,3,4,5-tetrahydrofuro[2,3-b]furan
PubChem CID67978634
Molecular FormulaC17H24O2
Molecular Weight260.38 g/mol
Exact Mass260.18
IUPAC Name3a-butyl-6a-(3-methylphenyl)-2,3,4,5-tetrahydrofuro[2,3-b]furan
SMILESCCCCC12CCOC1(c1cccc(C)c1)OCC2
InChIInChI=1S/C17H24O2/c1-3-4-8-16-9-11-18-17(16,19-12-10-16)15-7-5-6-14(2)13-15/h5-7,13H,3-4,8-12H2,1-2H3
InChIKeyCLCTUWGADRKUGJ-UHFFFAOYSA-N
XLogP4.17
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3a-butyl-6a-(3-methylphenyl)-2,3,4,5-tetrahydrofuro[2,3-b]furan?
The IUPAC name of 3a-butyl-6a-(3-methylphenyl)-2,3,4,5-tetrahydrofuro[2,3-b]furan (CID 67978634) is 3a-butyl-6a-(3-methylphenyl)-2,3,4,5-tetrahydrofuro[2,3-b]furan.
What is the SMILES notation for 3a-butyl-6a-(3-methylphenyl)-2,3,4,5-tetrahydrofuro[2,3-b]furan?
The canonical SMILES for 3a-butyl-6a-(3-methylphenyl)-2,3,4,5-tetrahydrofuro[2,3-b]furan is CCCCC12CCOC1(c1cccc(C)c1)OCC2.
What is the InChIKey of 3a-butyl-6a-(3-methylphenyl)-2,3,4,5-tetrahydrofuro[2,3-b]furan?
The InChIKey is CLCTUWGADRKUGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O2/c1-3-4-8-16-9-11-18-17(16,19-12-10-16)15-7-5-6-14(2)13-15/h5-7,13H,3-4,8-12H2,1-2H3.
What are the key properties of 3a-butyl-6a-(3-methylphenyl)-2,3,4,5-tetrahydrofuro[2,3-b]furan?
3a-butyl-6a-(3-methylphenyl)-2,3,4,5-tetrahydrofuro[2,3-b]furan has a molecular weight of 260.38 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3a-butyl-6a-(3-methylphenyl)-2,3,4,5-tetrahydrofuro[2,3-b]furan is sourced from PubChem (CID 67978634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).