6-tert-butyl-3-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;ethane

C17H38O2 — CID 145421576

IUPAC6-tert-butyl-3-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;ethane
SMILESCC.CC.CC.CC1COC2C1OCC2C(C)(C)C
InChIInChI=1S/C11H20O2.3C2H6/c1-7-5-12-10-8(11(2,3)4)6-13-9(7)10;3*1-2/h7-10H,5-6H2,1-4H3;3*1-2H3
InChIKeySITJYVRFGYTKEQ-UHFFFAOYSA-N
MW274.49 g/mol
LogP5.16
Rot. Bonds

About 6-tert-butyl-3-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;ethane

6-tert-butyl-3-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;ethane (PubChem CID 145421576) has the molecular formula C17H38O2 and a molecular weight of 274.49 g/mol. Its IUPAC name is 6-tert-butyl-3-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;ethane.

Molecular Properties

Compound Name6-tert-butyl-3-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;ethane
PubChem CID145421576
Molecular FormulaC17H38O2
Molecular Weight274.49 g/mol
Exact Mass274.29
IUPAC Name6-tert-butyl-3-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;ethane
SMILESCC.CC.CC.CC1COC2C1OCC2C(C)(C)C
InChIInChI=1S/C11H20O2.3C2H6/c1-7-5-12-10-8(11(2,3)4)6-13-9(7)10;3*1-2/h7-10H,5-6H2,1-4H3;3*1-2H3
InChIKeySITJYVRFGYTKEQ-UHFFFAOYSA-N
XLogP5.16
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.49
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-tert-butyl-3-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;ethane with MolForge

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Related Compounds

3,6-dimethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 22082039
(3S,6R,6aR)-3,6-dimethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 168912924
(3S,3aR,6R,6aS)-3,6-dimethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 59997534
(3S,3aR,6S,6aR)-3,6-dimethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;bis((3S,3aR,6R,6aR)-3,6-dimethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan);(3R,3aR,6R,6aR)-3,6-dimethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;(3R,3aS,6R,6aS)-3,6-dimethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;methane
CID 161227566
(3S,3aR,6S,6aR)-3-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol
CID 59170536
(3R,3aS,6R,6aS)-3-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol
CID 59488082
(3S,4R)-3-tert-butyl-4-methyloxolane
CID 158572842
3-tert-butyl-4-methyloxolane
CID 118688492
(3R,3aR,6S,6aS)-6-(3,3-dimethylbutoxy)-3-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 163610211
3-tert-butyl-2,3,3a,6a-tetrahydrofuro[3,2-b]furan-6-one
CID 169322503
N,2-dimethyl-4-(3-methyloxetan-2-yl)oxetan-3-amine
CID 167237186
(3aR,6aR)-3-methyl-6-propyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 131969290

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-3-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;ethane?
The IUPAC name of 6-tert-butyl-3-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;ethane (CID 145421576) is 6-tert-butyl-3-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;ethane.
What is the SMILES notation for 6-tert-butyl-3-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;ethane?
The canonical SMILES for 6-tert-butyl-3-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;ethane is CC.CC.CC.CC1COC2C1OCC2C(C)(C)C.
What is the InChIKey of 6-tert-butyl-3-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;ethane?
The InChIKey is SITJYVRFGYTKEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2.3C2H6/c1-7-5-12-10-8(11(2,3)4)6-13-9(7)10;3*1-2/h7-10H,5-6H2,1-4H3;3*1-2H3.
What are the key properties of 6-tert-butyl-3-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;ethane?
6-tert-butyl-3-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;ethane has a molecular weight of 274.49 g/mol, XLogP of 5.16, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-3-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;ethane is sourced from PubChem (CID 145421576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).