3a-butyl-6a-phenyl-2,3,4,5-tetrahydrofuro[2,3-b]furan

C16H22O2 — CID 67978638

IUPAC3a-butyl-6a-phenyl-2,3,4,5-tetrahydrofuro[2,3-b]furan
SMILESCCCCC12CCOC1(c1ccccc1)OCC2
InChIInChI=1S/C16H22O2/c1-2-3-9-15-10-12-17-16(15,18-13-11-15)14-7-5-4-6-8-14/h4-8H,2-3,9-13H2,1H3
InChIKeyMGKGJKGMZKAHAT-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.86
Rot. Bonds4

About 3a-butyl-6a-phenyl-2,3,4,5-tetrahydrofuro[2,3-b]furan

3a-butyl-6a-phenyl-2,3,4,5-tetrahydrofuro[2,3-b]furan (PubChem CID 67978638) has the molecular formula C16H22O2 and a molecular weight of 246.35 g/mol. Its IUPAC name is 3a-butyl-6a-phenyl-2,3,4,5-tetrahydrofuro[2,3-b]furan.

Molecular Properties

Compound Name3a-butyl-6a-phenyl-2,3,4,5-tetrahydrofuro[2,3-b]furan
PubChem CID67978638
Molecular FormulaC16H22O2
Molecular Weight246.35 g/mol
Exact Mass246.16
IUPAC Name3a-butyl-6a-phenyl-2,3,4,5-tetrahydrofuro[2,3-b]furan
SMILESCCCCC12CCOC1(c1ccccc1)OCC2
InChIInChI=1S/C16H22O2/c1-2-3-9-15-10-12-17-16(15,18-13-11-15)14-7-5-4-6-8-14/h4-8H,2-3,9-13H2,1H3
InChIKeyMGKGJKGMZKAHAT-UHFFFAOYSA-N
XLogP3.86
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3a-butyl-6a-(3-methylphenyl)-2,3,4,5-tetrahydrofuro[2,3-b]furan
CID 67978634
(1-butylcyclobutyl)benzene
CID 57200184
4-butyl-4-phenyl-2,3-dihydrochromene
CID 5169021
4,4-dibutyl-1-phenylborinane
CID 151582381
[(1R,2S)-1-butyl-2-methylcyclopropyl]benzene
CID 101248337
[(1S)-1-butyl-2-methylidenecyclopropyl]benzene
CID 102163735
1-(4-phenyloxan-4-yl)pentan-1-ol
CID 63083062
4-butyl-4-ethyloxane
CID 89395620
3-benzyl-3-butylazetidine
CID 79451820
N-methyl-1-(4-phenyloxan-4-yl)pentan-1-amine
CID 63083756
2-[(4R)-4-butyl-2,2-dimethyloxan-4-yl]acetic acid
CID 97424908
2-butyl-2-phenyl-4H-chromen-3-one
CID 175056331

Frequently Asked Questions

What is the IUPAC name of 3a-butyl-6a-phenyl-2,3,4,5-tetrahydrofuro[2,3-b]furan?
The IUPAC name of 3a-butyl-6a-phenyl-2,3,4,5-tetrahydrofuro[2,3-b]furan (CID 67978638) is 3a-butyl-6a-phenyl-2,3,4,5-tetrahydrofuro[2,3-b]furan.
What is the SMILES notation for 3a-butyl-6a-phenyl-2,3,4,5-tetrahydrofuro[2,3-b]furan?
The canonical SMILES for 3a-butyl-6a-phenyl-2,3,4,5-tetrahydrofuro[2,3-b]furan is CCCCC12CCOC1(c1ccccc1)OCC2.
What is the InChIKey of 3a-butyl-6a-phenyl-2,3,4,5-tetrahydrofuro[2,3-b]furan?
The InChIKey is MGKGJKGMZKAHAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O2/c1-2-3-9-15-10-12-17-16(15,18-13-11-15)14-7-5-4-6-8-14/h4-8H,2-3,9-13H2,1H3.
What are the key properties of 3a-butyl-6a-phenyl-2,3,4,5-tetrahydrofuro[2,3-b]furan?
3a-butyl-6a-phenyl-2,3,4,5-tetrahydrofuro[2,3-b]furan has a molecular weight of 246.35 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3a-butyl-6a-phenyl-2,3,4,5-tetrahydrofuro[2,3-b]furan is sourced from PubChem (CID 67978638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).