carbonic acid;1-(2-methylcyclopentyl)-2-(2,4,6-trimethylphenyl)ethanone

C18H26O4 — CID 70256242

IUPACcarbonic acid;1-(2-methylcyclopentyl)-2-(2,4,6-trimethylphenyl)ethanone
SMILESCc1cc(C)c(CC(=O)C2CCCC2C)c(C)c1.O=C(O)O
InChIInChI=1S/C17H24O.CH2O3/c1-11-8-13(3)16(14(4)9-11)10-17(18)15-7-5-6-12(15)2;2-1(3)4/h8-9,12,15H,5-7,10H2,1-4H3;(H2,2,3,4)
InChIKeyFTFDRVPZMBUERK-UHFFFAOYSA-N
MW306.40 g/mol
LogP4.38
Rot. Bonds3

About carbonic acid;1-(2-methylcyclopentyl)-2-(2,4,6-trimethylphenyl)ethanone

carbonic acid;1-(2-methylcyclopentyl)-2-(2,4,6-trimethylphenyl)ethanone (PubChem CID 70256242) has the molecular formula C18H26O4 and a molecular weight of 306.40 g/mol. Its IUPAC name is carbonic acid;1-(2-methylcyclopentyl)-2-(2,4,6-trimethylphenyl)ethanone.

Molecular Properties

Compound Namecarbonic acid;1-(2-methylcyclopentyl)-2-(2,4,6-trimethylphenyl)ethanone
PubChem CID70256242
Molecular FormulaC18H26O4
Molecular Weight306.40 g/mol
Exact Mass306.18
IUPAC Namecarbonic acid;1-(2-methylcyclopentyl)-2-(2,4,6-trimethylphenyl)ethanone
SMILESCc1cc(C)c(CC(=O)C2CCCC2C)c(C)c1.O=C(O)O
InChIInChI=1S/C17H24O.CH2O3/c1-11-8-13(3)16(14(4)9-11)10-17(18)15-7-5-6-12(15)2;2-1(3)4/h8-9,12,15H,5-7,10H2,1-4H3;(H2,2,3,4)
InChIKeyFTFDRVPZMBUERK-UHFFFAOYSA-N
XLogP4.38
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.40
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 3-methyl-2-[2-(2,4,6-trimethylphenyl)acetyl]cyclohexane-1-carboxylate
CID 54042008
1-(2-methylcyclopentyl)-2-(4-methylphenyl)ethanone
CID 107179336
1-(azepan-2-yl)-2-(2,4,6-trimethylphenyl)ethanone
CID 116582657
1-(3-bicyclo[3.1.0]hexanyl)-2-(2,4,6-trimethylphenyl)ethanone
CID 114966066
2-[2-(2,4,6-trimethylphenyl)acetyl]cyclopentan-1-one
CID 70255999
2,3-dimethyl-1-[2-(2,4,6-trimethylphenyl)acetyl]cyclobutane-1-carboxylic acid
CID 139760976
1-(2-methylcyclopentyl)propan-1-one
CID 12930148
1-methyl-2-[2-(2,4,6-trimethylphenyl)acetyl]cyclohexane-1-carboxylic acid
CID 54542229
methyl 4,5-dihydroxy-2-[2-(2,4,6-trimethylphenyl)acetyl]cyclohexane-1-carboxylate
CID 67669498
1-(4,4-difluorocyclohexyl)-2-(2,4,6-trimethylphenyl)ethanone
CID 105085826
1-(1-bicyclo[4.1.0]heptanyl)-2-(2,4,6-trimethylphenyl)ethanone;carbonic acid
CID 70256977
1-(4-methoxycyclohexyl)-2-(2,4,6-trimethylphenyl)ethanone
CID 70255424

Frequently Asked Questions

What is the IUPAC name of carbonic acid;1-(2-methylcyclopentyl)-2-(2,4,6-trimethylphenyl)ethanone?
The IUPAC name of carbonic acid;1-(2-methylcyclopentyl)-2-(2,4,6-trimethylphenyl)ethanone (CID 70256242) is carbonic acid;1-(2-methylcyclopentyl)-2-(2,4,6-trimethylphenyl)ethanone.
What is the SMILES notation for carbonic acid;1-(2-methylcyclopentyl)-2-(2,4,6-trimethylphenyl)ethanone?
The canonical SMILES for carbonic acid;1-(2-methylcyclopentyl)-2-(2,4,6-trimethylphenyl)ethanone is Cc1cc(C)c(CC(=O)C2CCCC2C)c(C)c1.O=C(O)O.
What is the InChIKey of carbonic acid;1-(2-methylcyclopentyl)-2-(2,4,6-trimethylphenyl)ethanone?
The InChIKey is FTFDRVPZMBUERK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O.CH2O3/c1-11-8-13(3)16(14(4)9-11)10-17(18)15-7-5-6-12(15)2;2-1(3)4/h8-9,12,15H,5-7,10H2,1-4H3;(H2,2,3,4).
What are the key properties of carbonic acid;1-(2-methylcyclopentyl)-2-(2,4,6-trimethylphenyl)ethanone?
carbonic acid;1-(2-methylcyclopentyl)-2-(2,4,6-trimethylphenyl)ethanone has a molecular weight of 306.40 g/mol, XLogP of 4.38, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;1-(2-methylcyclopentyl)-2-(2,4,6-trimethylphenyl)ethanone is sourced from PubChem (CID 70256242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).