(2,2-dimethylcyclopropyl)-(2,4,6-triethylphenyl)methanone

C18H26O — CID 107000810

IUPAC(2,2-dimethylcyclopropyl)-(2,4,6-triethylphenyl)methanone
SMILESCCc1cc(CC)c(C(=O)C2CC2(C)C)c(CC)c1
InChIInChI=1S/C18H26O/c1-6-12-9-13(7-2)16(14(8-3)10-12)17(19)15-11-18(15,4)5/h9-10,15H,6-8,11H2,1-5H3
InChIKeyBZDMTOLOVXBBDJ-UHFFFAOYSA-N
MW258.40 g/mol
LogP4.60
Rot. Bonds5

About (2,2-dimethylcyclopropyl)-(2,4,6-triethylphenyl)methanone

(2,2-dimethylcyclopropyl)-(2,4,6-triethylphenyl)methanone (PubChem CID 107000810) has the molecular formula C18H26O and a molecular weight of 258.40 g/mol. Its IUPAC name is (2,2-dimethylcyclopropyl)-(2,4,6-triethylphenyl)methanone.

Molecular Properties

Compound Name(2,2-dimethylcyclopropyl)-(2,4,6-triethylphenyl)methanone
PubChem CID107000810
Molecular FormulaC18H26O
Molecular Weight258.40 g/mol
Exact Mass258.20
IUPAC Name(2,2-dimethylcyclopropyl)-(2,4,6-triethylphenyl)methanone
SMILESCCc1cc(CC)c(C(=O)C2CC2(C)C)c(CC)c1
InChIInChI=1S/C18H26O/c1-6-12-9-13(7-2)16(14(8-3)10-12)17(19)15-11-18(15,4)5/h9-10,15H,6-8,11H2,1-5H3
InChIKeyBZDMTOLOVXBBDJ-UHFFFAOYSA-N
XLogP4.60
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.40
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2,5-diethylphenyl)-(2,2-dimethylcyclopropyl)methanone
CID 107000766
(2,2-dimethylcyclopropyl)-(5-ethylfuran-2-yl)methanone
CID 107000752
2,4,6-triethylbenzoyl iodide
CID 139959913
ethyl 2,4,6-triethylbenzoate
CID 12702183
1-(2,4,6-triethylphenyl)prop-2-en-1-one
CID 103522560
[methyl-(2,4,6-triethylbenzoyl)phosphoryl]-(2,4,6-triethylphenyl)methanone
CID 54544995
1-[(1R)-2,2-dimethylcyclopropyl]-3-ethylbenzene
CID 142058084
3-chloro-1-(2,4,6-triethylphenyl)propan-1-one
CID 104645894
1-(2,2-dimethylcyclopropyl)-2-(5-ethylthiophen-2-yl)ethanone
CID 107003842
(2,2-dimethylcyclopropyl)-[4-(2-methylpropyl)phenyl]methanone
CID 107000654
2,4-diethyl-N,6-dihydroxybenzamide
CID 45094929
(2-chloro-4,5-dimethylphenyl)-(2,2-dimethylcyclopropyl)methanone
CID 107000808

Frequently Asked Questions

What is the IUPAC name of (2,2-dimethylcyclopropyl)-(2,4,6-triethylphenyl)methanone?
The IUPAC name of (2,2-dimethylcyclopropyl)-(2,4,6-triethylphenyl)methanone (CID 107000810) is (2,2-dimethylcyclopropyl)-(2,4,6-triethylphenyl)methanone.
What is the SMILES notation for (2,2-dimethylcyclopropyl)-(2,4,6-triethylphenyl)methanone?
The canonical SMILES for (2,2-dimethylcyclopropyl)-(2,4,6-triethylphenyl)methanone is CCc1cc(CC)c(C(=O)C2CC2(C)C)c(CC)c1.
What is the InChIKey of (2,2-dimethylcyclopropyl)-(2,4,6-triethylphenyl)methanone?
The InChIKey is BZDMTOLOVXBBDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O/c1-6-12-9-13(7-2)16(14(8-3)10-12)17(19)15-11-18(15,4)5/h9-10,15H,6-8,11H2,1-5H3.
What are the key properties of (2,2-dimethylcyclopropyl)-(2,4,6-triethylphenyl)methanone?
(2,2-dimethylcyclopropyl)-(2,4,6-triethylphenyl)methanone has a molecular weight of 258.40 g/mol, XLogP of 4.60, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethylcyclopropyl)-(2,4,6-triethylphenyl)methanone is sourced from PubChem (CID 107000810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).