(4-tert-butylcyclohexylidene)methanone

C11H18O — CID 134893042

IUPAC(4-tert-butylcyclohexylidene)methanone
SMILESCC(C)(C)C1CCC(=C=O)CC1
InChIInChI=1S/C11H18O/c1-11(2,3)10-6-4-9(8-12)5-7-10/h10H,4-7H2,1-3H3
InChIKeyAVBAYGALQNGTEM-UHFFFAOYSA-N
MW166.26 g/mol
LogP2.98
Rot. Bonds

About (4-tert-butylcyclohexylidene)methanone

(4-tert-butylcyclohexylidene)methanone (PubChem CID 134893042) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is (4-tert-butylcyclohexylidene)methanone.

Molecular Properties

Compound Name(4-tert-butylcyclohexylidene)methanone
PubChem CID134893042
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name(4-tert-butylcyclohexylidene)methanone
SMILESCC(C)(C)C1CCC(=C=O)CC1
InChIInChI=1S/C11H18O/c1-11(2,3)10-6-4-9(8-12)5-7-10/h10H,4-7H2,1-3H3
InChIKeyAVBAYGALQNGTEM-UHFFFAOYSA-N
XLogP2.98
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ketene', 'substructure': 'N/A'}

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Related Compounds

4-tert-butylcyclohexan-1-one
CID 7392
5-tert-butyl-2-methylcycloheptan-1-one
CID 73120802
2-(4-tert-butylcyclohexylidene)ethenyl acetate
CID 44520663
2-(4-tert-butylcyclohexylidene)acetonitrile
CID 10749813
cis-(2S,4R)-4-tert-butyl-2-chlorocyclohexan-1-one
CID 641779
1-(4-tert-butylcyclohexylidene)propan-2-one
CID 12753842
(5S)-5-tert-butyloxepan-2-one
CID 13139227
2-(4-tert-butylcyclohexylidene)propanoic acid
CID 10013355
2-(4-tert-butylcyclohexylidene)-3-oxopropanenitrile
CID 11009069
1-(4-tert-butylcyclohexylidene)-3,3-dimethylbutan-2-one
CID 15644980
tert-butylcyclopentadecane
CID 164774831
1,4-ditert-butylcycloheptane
CID 58579546

Frequently Asked Questions

What is the IUPAC name of (4-tert-butylcyclohexylidene)methanone?
The IUPAC name of (4-tert-butylcyclohexylidene)methanone (CID 134893042) is (4-tert-butylcyclohexylidene)methanone.
What is the SMILES notation for (4-tert-butylcyclohexylidene)methanone?
The canonical SMILES for (4-tert-butylcyclohexylidene)methanone is CC(C)(C)C1CCC(=C=O)CC1.
What is the InChIKey of (4-tert-butylcyclohexylidene)methanone?
The InChIKey is AVBAYGALQNGTEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O/c1-11(2,3)10-6-4-9(8-12)5-7-10/h10H,4-7H2,1-3H3.
What are the key properties of (4-tert-butylcyclohexylidene)methanone?
(4-tert-butylcyclohexylidene)methanone has a molecular weight of 166.26 g/mol, XLogP of 2.98, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylcyclohexylidene)methanone is sourced from PubChem (CID 134893042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).