1-(1-tert-butylcyclopropyl)propan-1-one

C10H18O — CID 158981534

IUPAC1-(1-tert-butylcyclopropyl)propan-1-one
SMILESCCC(=O)C1(C(C)(C)C)CC1
InChIInChI=1S/C10H18O/c1-5-8(11)10(6-7-10)9(2,3)4/h5-7H2,1-4H3
InChIKeyWLHBVTWJVXGHSM-UHFFFAOYSA-N
MW154.25 g/mol
LogP2.79
Rot. Bonds2

About 1-(1-tert-butylcyclopropyl)propan-1-one

1-(1-tert-butylcyclopropyl)propan-1-one (PubChem CID 158981534) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 1-(1-tert-butylcyclopropyl)propan-1-one.

Molecular Properties

Compound Name1-(1-tert-butylcyclopropyl)propan-1-one
PubChem CID158981534
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name1-(1-tert-butylcyclopropyl)propan-1-one
SMILESCCC(=O)C1(C(C)(C)C)CC1
InChIInChI=1S/C10H18O/c1-5-8(11)10(6-7-10)9(2,3)4/h5-7H2,1-4H3
InChIKeyWLHBVTWJVXGHSM-UHFFFAOYSA-N
XLogP2.79
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
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

Analyze 1-(1-tert-butylcyclopropyl)propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(1-tert-butylcyclopropyl)propan-1-one?
The IUPAC name of 1-(1-tert-butylcyclopropyl)propan-1-one (CID 158981534) is 1-(1-tert-butylcyclopropyl)propan-1-one.
What is the SMILES notation for 1-(1-tert-butylcyclopropyl)propan-1-one?
The canonical SMILES for 1-(1-tert-butylcyclopropyl)propan-1-one is CCC(=O)C1(C(C)(C)C)CC1.
What is the InChIKey of 1-(1-tert-butylcyclopropyl)propan-1-one?
The InChIKey is WLHBVTWJVXGHSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c1-5-8(11)10(6-7-10)9(2,3)4/h5-7H2,1-4H3.
What are the key properties of 1-(1-tert-butylcyclopropyl)propan-1-one?
1-(1-tert-butylcyclopropyl)propan-1-one has a molecular weight of 154.25 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-tert-butylcyclopropyl)propan-1-one is sourced from PubChem (CID 158981534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).