1-cyclopentylethanone;propane

C10H20O — CID 145026358

IUPAC1-cyclopentylethanone;propane
SMILESCC(=O)C1CCCC1.CCC
InChIInChI=1S/C7H12O.C3H8/c1-6(8)7-4-2-3-5-7;1-3-2/h7H,2-5H2,1H3;3H2,1-2H3
InChIKeyYOQIEKBLDCTNFQ-UHFFFAOYSA-N
MW156.27 g/mol
LogP3.18
Rot. Bonds1

About 1-cyclopentylethanone;propane

1-cyclopentylethanone;propane (PubChem CID 145026358) has the molecular formula C10H20O and a molecular weight of 156.27 g/mol. Its IUPAC name is 1-cyclopentylethanone;propane.

Molecular Properties

Compound Name1-cyclopentylethanone;propane
PubChem CID145026358
Molecular FormulaC10H20O
Molecular Weight156.27 g/mol
Exact Mass156.15
IUPAC Name1-cyclopentylethanone;propane
SMILESCC(=O)C1CCCC1.CCC
InChIInChI=1S/C7H12O.C3H8/c1-6(8)7-4-2-3-5-7;1-3-2/h7H,2-5H2,1H3;3H2,1-2H3
InChIKeyYOQIEKBLDCTNFQ-UHFFFAOYSA-N
XLogP3.18
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 88741399
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1-cyclohexylethanone;dioxathiirane 3,3-dioxide
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1-cyclohexylethanone;1,3-dicyclohexylbutan-1-one
CID 163526339
1-cyclohexyl-2-ethylpolanylethanone
CID 145029687
1-cyclohexylethanone;ethane;molecular hydrogen;2H-tetrazole
CID 144882448
1-cyclooct-3-en-1-ylethanone
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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentylethanone;propane?
The IUPAC name of 1-cyclopentylethanone;propane (CID 145026358) is 1-cyclopentylethanone;propane.
What is the SMILES notation for 1-cyclopentylethanone;propane?
The canonical SMILES for 1-cyclopentylethanone;propane is CC(=O)C1CCCC1.CCC.
What is the InChIKey of 1-cyclopentylethanone;propane?
The InChIKey is YOQIEKBLDCTNFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O.C3H8/c1-6(8)7-4-2-3-5-7;1-3-2/h7H,2-5H2,1H3;3H2,1-2H3.
What are the key properties of 1-cyclopentylethanone;propane?
1-cyclopentylethanone;propane has a molecular weight of 156.27 g/mol, XLogP of 3.18, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentylethanone;propane is sourced from PubChem (CID 145026358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).