2-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran

C15H22O — CID 158494381

IUPAC2-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran
SMILESCC(C)C1=CCC=C1.CC(C)c1ccco1
InChIInChI=1S/C8H12.C7H10O/c1-7(2)8-5-3-4-6-8;1-6(2)7-4-3-5-8-7/h3,5-7H,4H2,1-2H3;3-6H,1-2H3
InChIKeyHJCBRVVEEKOWMU-UHFFFAOYSA-N
MW218.34 g/mol
LogP4.93
Rot. Bonds2

About 2-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran

2-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran (PubChem CID 158494381) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is 2-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran.

Molecular Properties

Compound Name2-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran
PubChem CID158494381
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name2-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran
SMILESCC(C)C1=CCC=C1.CC(C)c1ccco1
InChIInChI=1S/C8H12.C7H10O/c1-7(2)8-5-3-4-6-8;1-6(2)7-4-3-5-8-7/h3,5-7H,4H2,1-2H3;3-6H,1-2H3
InChIKeyHJCBRVVEEKOWMU-UHFFFAOYSA-N
XLogP4.93
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran?
The IUPAC name of 2-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran (CID 158494381) is 2-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran.
What is the SMILES notation for 2-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran?
The canonical SMILES for 2-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran is CC(C)C1=CCC=C1.CC(C)c1ccco1.
What is the InChIKey of 2-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran?
The InChIKey is HJCBRVVEEKOWMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12.C7H10O/c1-7(2)8-5-3-4-6-8;1-6(2)7-4-3-5-8-7/h3,5-7H,4H2,1-2H3;3-6H,1-2H3.
What are the key properties of 2-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran?
2-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran has a molecular weight of 218.34 g/mol, XLogP of 4.93, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran is sourced from PubChem (CID 158494381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).