ethane;2-propan-2-ylfuran;3-propan-2-ylfuran

C18H32O2 — CID 157401311

IUPACethane;2-propan-2-ylfuran;3-propan-2-ylfuran
SMILESCC.CC.CC(C)c1ccco1.CC(C)c1ccoc1
InChIInChI=1S/2C7H10O.2C2H6/c1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;2*1-2/h2*3-6H,1-2H3;2*1-2H3
InChIKeyBNEUTRKXQUZNDO-UHFFFAOYSA-N
MW280.45 g/mol
LogP6.86
Rot. Bonds2

About ethane;2-propan-2-ylfuran;3-propan-2-ylfuran

ethane;2-propan-2-ylfuran;3-propan-2-ylfuran (PubChem CID 157401311) has the molecular formula C18H32O2 and a molecular weight of 280.45 g/mol. Its IUPAC name is ethane;2-propan-2-ylfuran;3-propan-2-ylfuran.

Molecular Properties

Compound Nameethane;2-propan-2-ylfuran;3-propan-2-ylfuran
PubChem CID157401311
Molecular FormulaC18H32O2
Molecular Weight280.45 g/mol
Exact Mass280.24
IUPAC Nameethane;2-propan-2-ylfuran;3-propan-2-ylfuran
SMILESCC.CC.CC(C)c1ccco1.CC(C)c1ccoc1
InChIInChI=1S/2C7H10O.2C2H6/c1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;2*1-2/h2*3-6H,1-2H3;2*1-2H3
InChIKeyBNEUTRKXQUZNDO-UHFFFAOYSA-N
XLogP6.86
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.45
LogP ≤ 56.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze ethane;2-propan-2-ylfuran;3-propan-2-ylfuran with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[bromo-(4-propan-2-ylphenyl)methyl]furan
CID 63443544
2-propan-2-ylaniline;2-propan-2-ylfuran
CID 158742039
1-(furan-3-yl)-2-methylpropan-1-amine
CID 63948567
2-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran
CID 158494381
2-[1-(furan-3-yl)ethyl]benzene-1,3-diol
CID 174946883
N-[furan-3-yl-(4-propan-2-ylphenyl)methyl]ethanamine
CID 43625464
2-propan-2-ylfuran;4-propan-2-yl-1,3-thiazole
CID 157413823
furan-3-ylmethanediamine
CID 54545098
N-[1-(furan-2-yl)-2-(furan-3-yl)ethyl]propan-1-amine
CID 83175419
[(S)-furan-2-yl-(4-propan-2-ylphenyl)methyl] acetate
CID 166439605
2-[1-(4-chlorophenyl)ethyl]furan
CID 21387728
2-(furan-3-yl)propanamide
CID 140988515

Frequently Asked Questions

What is the IUPAC name of ethane;2-propan-2-ylfuran;3-propan-2-ylfuran?
The IUPAC name of ethane;2-propan-2-ylfuran;3-propan-2-ylfuran (CID 157401311) is ethane;2-propan-2-ylfuran;3-propan-2-ylfuran.
What is the SMILES notation for ethane;2-propan-2-ylfuran;3-propan-2-ylfuran?
The canonical SMILES for ethane;2-propan-2-ylfuran;3-propan-2-ylfuran is CC.CC.CC(C)c1ccco1.CC(C)c1ccoc1.
What is the InChIKey of ethane;2-propan-2-ylfuran;3-propan-2-ylfuran?
The InChIKey is BNEUTRKXQUZNDO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H10O.2C2H6/c1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;2*1-2/h2*3-6H,1-2H3;2*1-2H3.
What are the key properties of ethane;2-propan-2-ylfuran;3-propan-2-ylfuran?
ethane;2-propan-2-ylfuran;3-propan-2-ylfuran has a molecular weight of 280.45 g/mol, XLogP of 6.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-propan-2-ylfuran;3-propan-2-ylfuran is sourced from PubChem (CID 157401311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).