1-cyclopropyl-4,4-dimethylpentan-2-one

C10H18O — CID 58286843

IUPAC1-cyclopropyl-4,4-dimethylpentan-2-one
SMILESCC(C)(C)CC(=O)CC1CC1
InChIInChI=1S/C10H18O/c1-10(2,3)7-9(11)6-8-4-5-8/h8H,4-7H2,1-3H3
InChIKeyVPWPAYOYAGXBIX-UHFFFAOYSA-N
MW154.25 g/mol
LogP2.79
Rot. Bonds3

About 1-cyclopropyl-4,4-dimethylpentan-2-one

1-cyclopropyl-4,4-dimethylpentan-2-one (PubChem CID 58286843) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 1-cyclopropyl-4,4-dimethylpentan-2-one.

Molecular Properties

Compound Name1-cyclopropyl-4,4-dimethylpentan-2-one
PubChem CID58286843
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name1-cyclopropyl-4,4-dimethylpentan-2-one
SMILESCC(C)(C)CC(=O)CC1CC1
InChIInChI=1S/C10H18O/c1-10(2,3)7-9(11)6-8-4-5-8/h8H,4-7H2,1-3H3
InChIKeyVPWPAYOYAGXBIX-UHFFFAOYSA-N
XLogP2.79
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4,4-dimethylpentan-2-one?
The IUPAC name of 1-cyclopropyl-4,4-dimethylpentan-2-one (CID 58286843) is 1-cyclopropyl-4,4-dimethylpentan-2-one.
What is the SMILES notation for 1-cyclopropyl-4,4-dimethylpentan-2-one?
The canonical SMILES for 1-cyclopropyl-4,4-dimethylpentan-2-one is CC(C)(C)CC(=O)CC1CC1.
What is the InChIKey of 1-cyclopropyl-4,4-dimethylpentan-2-one?
The InChIKey is VPWPAYOYAGXBIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c1-10(2,3)7-9(11)6-8-4-5-8/h8H,4-7H2,1-3H3.
What are the key properties of 1-cyclopropyl-4,4-dimethylpentan-2-one?
1-cyclopropyl-4,4-dimethylpentan-2-one has a molecular weight of 154.25 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4,4-dimethylpentan-2-one is sourced from PubChem (CID 58286843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).