(2S)-2-butan-2-ylcyclopentan-1-one

C9H16O — CID 89019015

IUPAC(2S)-2-butan-2-ylcyclopentan-1-one
SMILESCCC(C)[C@@H]1CCCC1=O
InChIInChI=1S/C9H16O/c1-3-7(2)8-5-4-6-9(8)10/h7-8H,3-6H2,1-2H3/t7?,8-/m0/s1
InChIKeyWVPBKXPDHMXIKD-MQWKRIRWSA-N
MW140.23 g/mol
LogP2.40
Rot. Bonds2

About (2S)-2-butan-2-ylcyclopentan-1-one

(2S)-2-butan-2-ylcyclopentan-1-one (PubChem CID 89019015) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is (2S)-2-butan-2-ylcyclopentan-1-one.

Molecular Properties

Compound Name(2S)-2-butan-2-ylcyclopentan-1-one
PubChem CID89019015
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name(2S)-2-butan-2-ylcyclopentan-1-one
SMILESCCC(C)[C@@H]1CCCC1=O
InChIInChI=1S/C9H16O/c1-3-7(2)8-5-4-6-9(8)10/h7-8H,3-6H2,1-2H3/t7?,8-/m0/s1
InChIKeyWVPBKXPDHMXIKD-MQWKRIRWSA-N
XLogP2.40
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-butan-2-ylcyclopentan-1-one?
The IUPAC name of (2S)-2-butan-2-ylcyclopentan-1-one (CID 89019015) is (2S)-2-butan-2-ylcyclopentan-1-one.
What is the SMILES notation for (2S)-2-butan-2-ylcyclopentan-1-one?
The canonical SMILES for (2S)-2-butan-2-ylcyclopentan-1-one is CCC(C)[C@@H]1CCCC1=O.
What is the InChIKey of (2S)-2-butan-2-ylcyclopentan-1-one?
The InChIKey is WVPBKXPDHMXIKD-MQWKRIRWSA-N. The full InChI is InChI=1S/C9H16O/c1-3-7(2)8-5-4-6-9(8)10/h7-8H,3-6H2,1-2H3/t7?,8-/m0/s1.
What are the key properties of (2S)-2-butan-2-ylcyclopentan-1-one?
(2S)-2-butan-2-ylcyclopentan-1-one has a molecular weight of 140.23 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-butan-2-ylcyclopentan-1-one is sourced from PubChem (CID 89019015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).