ethane;2-(2-methylpropyl)furan;2-propan-2-ylthiophene

C17H28OS — CID 170971854

IUPACethane;2-(2-methylpropyl)furan;2-propan-2-ylthiophene
SMILESCC.CC(C)Cc1ccco1.CC(C)c1cccs1
InChIInChI=1S/C8H12O.C7H10S.C2H6/c1-7(2)6-8-4-3-5-9-8;1-6(2)7-4-3-5-8-7;1-2/h3-5,7H,6H2,1-2H3;3-6H,1-2H3;1-2H3
InChIKeyCQROIJNRTFZUOU-UHFFFAOYSA-N
MW280.48 g/mol
LogP6.38
Rot. Bonds3

About ethane;2-(2-methylpropyl)furan;2-propan-2-ylthiophene

ethane;2-(2-methylpropyl)furan;2-propan-2-ylthiophene (PubChem CID 170971854) has the molecular formula C17H28OS and a molecular weight of 280.48 g/mol. Its IUPAC name is ethane;2-(2-methylpropyl)furan;2-propan-2-ylthiophene.

Molecular Properties

Compound Nameethane;2-(2-methylpropyl)furan;2-propan-2-ylthiophene
PubChem CID170971854
Molecular FormulaC17H28OS
Molecular Weight280.48 g/mol
Exact Mass280.19
IUPAC Nameethane;2-(2-methylpropyl)furan;2-propan-2-ylthiophene
SMILESCC.CC(C)Cc1ccco1.CC(C)c1cccs1
InChIInChI=1S/C8H12O.C7H10S.C2H6/c1-7(2)6-8-4-3-5-9-8;1-6(2)7-4-3-5-8-7;1-2/h3-5,7H,6H2,1-2H3;3-6H,1-2H3;1-2H3
InChIKeyCQROIJNRTFZUOU-UHFFFAOYSA-N
XLogP6.38
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.48
LogP ≤ 56.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-propan-2-ylthiophene
CID 178128598
2-(2-methylpropyl)furan;propanoic acid
CID 158583493
1-(furan-2-yl)-N-(thiophen-2-ylmethyl)propan-2-amine
CID 43432946
2-amino-N-[1-(furan-2-yl)propan-2-yl]-2-thiophen-2-ylacetamide
CID 113279094
2-[bis(furan-2-ylmethyl)amino]-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]acetamide
CID 51487383
2-[bis(furan-2-ylmethyl)amino]-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]acetamide
CID 51487381
N-(dithiophen-2-ylmethyl)-2-(furan-2-yl)ethanamine
CID 43776491
3-(furan-2-yl)-N-(1-thiophen-2-ylethyl)propanamide
CID 43005308
1-(furan-2-yl)-N-[1-(furan-2-yl)propan-2-yl]propan-2-amine
CID 55179966
N'-(furan-2-ylmethyl)-N'-methyl-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine
CID 62560949
1-N-(furan-2-ylmethyl)-2-N-methyl-2-N-(1-thiophen-2-ylethyl)propane-1,2-diamine
CID 62570167
2-[4-(furan-2-yl)butan-2-ylamino]-1-thiophen-2-ylethanol
CID 54968018

Frequently Asked Questions

What is the IUPAC name of ethane;2-(2-methylpropyl)furan;2-propan-2-ylthiophene?
The IUPAC name of ethane;2-(2-methylpropyl)furan;2-propan-2-ylthiophene (CID 170971854) is ethane;2-(2-methylpropyl)furan;2-propan-2-ylthiophene.
What is the SMILES notation for ethane;2-(2-methylpropyl)furan;2-propan-2-ylthiophene?
The canonical SMILES for ethane;2-(2-methylpropyl)furan;2-propan-2-ylthiophene is CC.CC(C)Cc1ccco1.CC(C)c1cccs1.
What is the InChIKey of ethane;2-(2-methylpropyl)furan;2-propan-2-ylthiophene?
The InChIKey is CQROIJNRTFZUOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O.C7H10S.C2H6/c1-7(2)6-8-4-3-5-9-8;1-6(2)7-4-3-5-8-7;1-2/h3-5,7H,6H2,1-2H3;3-6H,1-2H3;1-2H3.
What are the key properties of ethane;2-(2-methylpropyl)furan;2-propan-2-ylthiophene?
ethane;2-(2-methylpropyl)furan;2-propan-2-ylthiophene has a molecular weight of 280.48 g/mol, XLogP of 6.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(2-methylpropyl)furan;2-propan-2-ylthiophene is sourced from PubChem (CID 170971854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).