3,4,5-tri(propan-2-ylidene)cyclohexan-1-one

C15H22O — CID 129040886

IUPAC3,4,5-tri(propan-2-ylidene)cyclohexan-1-one
SMILESCC(C)=C1CC(=O)CC(=C(C)C)C1=C(C)C
InChIInChI=1S/C15H22O/c1-9(2)13-7-12(16)8-14(10(3)4)15(13)11(5)6/h7-8H2,1-6H3
InChIKeyQCWMJJGZDPFXHR-UHFFFAOYSA-N
MW218.34 g/mol
LogP4.36
Rot. Bonds

About 3,4,5-tri(propan-2-ylidene)cyclohexan-1-one

3,4,5-tri(propan-2-ylidene)cyclohexan-1-one (PubChem CID 129040886) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is 3,4,5-tri(propan-2-ylidene)cyclohexan-1-one.

Molecular Properties

Compound Name3,4,5-tri(propan-2-ylidene)cyclohexan-1-one
PubChem CID129040886
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name3,4,5-tri(propan-2-ylidene)cyclohexan-1-one
SMILESCC(C)=C1CC(=O)CC(=C(C)C)C1=C(C)C
InChIInChI=1S/C15H22O/c1-9(2)13-7-12(16)8-14(10(3)4)15(13)11(5)6/h7-8H2,1-6H3
InChIKeyQCWMJJGZDPFXHR-UHFFFAOYSA-N
XLogP4.36
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,4,5-tri(propan-2-ylidene)cyclohexan-1-one?
The IUPAC name of 3,4,5-tri(propan-2-ylidene)cyclohexan-1-one (CID 129040886) is 3,4,5-tri(propan-2-ylidene)cyclohexan-1-one.
What is the SMILES notation for 3,4,5-tri(propan-2-ylidene)cyclohexan-1-one?
The canonical SMILES for 3,4,5-tri(propan-2-ylidene)cyclohexan-1-one is CC(C)=C1CC(=O)CC(=C(C)C)C1=C(C)C.
What is the InChIKey of 3,4,5-tri(propan-2-ylidene)cyclohexan-1-one?
The InChIKey is QCWMJJGZDPFXHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O/c1-9(2)13-7-12(16)8-14(10(3)4)15(13)11(5)6/h7-8H2,1-6H3.
What are the key properties of 3,4,5-tri(propan-2-ylidene)cyclohexan-1-one?
3,4,5-tri(propan-2-ylidene)cyclohexan-1-one has a molecular weight of 218.34 g/mol, XLogP of 4.36, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-tri(propan-2-ylidene)cyclohexan-1-one is sourced from PubChem (CID 129040886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).