2-propan-2-ylcyclopentan-1-one

C8H14O — CID 11170976

IUPAC2-propan-2-ylcyclopentan-1-one
SMILESCC(C)C1CCCC1=O
InChIInChI=1S/C8H14O/c1-6(2)7-4-3-5-8(7)9/h6-7H,3-5H2,1-2H3
InChIKeyRKZBBVUTJFJAJR-UHFFFAOYSA-N
MW126.20 g/mol
LogP2.01
Rot. Bonds1

About 2-propan-2-ylcyclopentan-1-one

2-propan-2-ylcyclopentan-1-one (PubChem CID 11170976) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is 2-propan-2-ylcyclopentan-1-one.

Molecular Properties

Compound Name2-propan-2-ylcyclopentan-1-one
PubChem CID11170976
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name2-propan-2-ylcyclopentan-1-one
SMILESCC(C)C1CCCC1=O
InChIInChI=1S/C8H14O/c1-6(2)7-4-3-5-8(7)9/h6-7H,3-5H2,1-2H3
InChIKeyRKZBBVUTJFJAJR-UHFFFAOYSA-N
XLogP2.01
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-ylcyclopentan-1-one?
The IUPAC name of 2-propan-2-ylcyclopentan-1-one (CID 11170976) is 2-propan-2-ylcyclopentan-1-one.
What is the SMILES notation for 2-propan-2-ylcyclopentan-1-one?
The canonical SMILES for 2-propan-2-ylcyclopentan-1-one is CC(C)C1CCCC1=O.
What is the InChIKey of 2-propan-2-ylcyclopentan-1-one?
The InChIKey is RKZBBVUTJFJAJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O/c1-6(2)7-4-3-5-8(7)9/h6-7H,3-5H2,1-2H3.
What are the key properties of 2-propan-2-ylcyclopentan-1-one?
2-propan-2-ylcyclopentan-1-one has a molecular weight of 126.20 g/mol, XLogP of 2.01, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-ylcyclopentan-1-one is sourced from PubChem (CID 11170976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).