3,4-ditert-butylfuran;ethane

C14H26O — CID 142150045

IUPAC3,4-ditert-butylfuran;ethane
SMILESCC.CC(C)(C)c1cocc1C(C)(C)C
InChIInChI=1S/C12H20O.C2H6/c1-11(2,3)9-7-13-8-10(9)12(4,5)6;1-2/h7-8H,1-6H3;1-2H3
InChIKeyIARRXKNBEAKKNY-UHFFFAOYSA-N
MW210.36 g/mol
LogP4.90
Rot. Bonds

About 3,4-ditert-butylfuran;ethane

3,4-ditert-butylfuran;ethane (PubChem CID 142150045) has the molecular formula C14H26O and a molecular weight of 210.36 g/mol. Its IUPAC name is 3,4-ditert-butylfuran;ethane.

Molecular Properties

Compound Name3,4-ditert-butylfuran;ethane
PubChem CID142150045
Molecular FormulaC14H26O
Molecular Weight210.36 g/mol
Exact Mass210.20
IUPAC Name3,4-ditert-butylfuran;ethane
SMILESCC.CC(C)(C)c1cocc1C(C)(C)C
InChIInChI=1S/C12H20O.C2H6/c1-11(2,3)9-7-13-8-10(9)12(4,5)6;1-2/h7-8H,1-6H3;1-2H3
InChIKeyIARRXKNBEAKKNY-UHFFFAOYSA-N
XLogP4.90
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3,4-ditert-butylfuran
CID 15635411
4-tert-butylfuran-3-ol
CID 18735574
2-[(4-tert-butylfuran-3-yl)methyl]-1-(diaminomethylidene)guanidine
CID 69217811
1,3,4-tritert-butylpyrrole
CID 24977707
4-[(2Z,5E)-4-hydroxyhepta-2,5-dien-4-yl]furan-3-ol
CID 67673997
1,3-ditert-butyl-2,5-dimethylbenzene;ethane
CID 158807348
CID 175472927
CID 175472927
4-tert-butyl-1,3-dimethylpyrazole;ethane
CID 144507341
1-(1-methylcyclopropyl)-1-(4-methylfuran-3-yl)ethanol
CID 131145602
2-tert-butyl-1-methanidylindolizine;pentakis(vanadium)
CID 58787372
4,6-ditert-butyloxepine-2,5-dione
CID 102022892
5-tert-butylfuro[2,3-d]pyrimidine;ethane
CID 161160527

Frequently Asked Questions

What is the IUPAC name of 3,4-ditert-butylfuran;ethane?
The IUPAC name of 3,4-ditert-butylfuran;ethane (CID 142150045) is 3,4-ditert-butylfuran;ethane.
What is the SMILES notation for 3,4-ditert-butylfuran;ethane?
The canonical SMILES for 3,4-ditert-butylfuran;ethane is CC.CC(C)(C)c1cocc1C(C)(C)C.
What is the InChIKey of 3,4-ditert-butylfuran;ethane?
The InChIKey is IARRXKNBEAKKNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O.C2H6/c1-11(2,3)9-7-13-8-10(9)12(4,5)6;1-2/h7-8H,1-6H3;1-2H3.
What are the key properties of 3,4-ditert-butylfuran;ethane?
3,4-ditert-butylfuran;ethane has a molecular weight of 210.36 g/mol, XLogP of 4.90, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-ditert-butylfuran;ethane is sourced from PubChem (CID 142150045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).