2-(4-tert-butylcyclohexyl)-1-[2-[2-(4-tert-butylcyclohexyl)acetyl]phenyl]ethanone

C30H46O2 — CID 23596752

IUPAC2-(4-tert-butylcyclohexyl)-1-[2-[2-(4-tert-butylcyclohexyl)acetyl]phenyl]ethanone
SMILESCC(C)(C)C1CCC(CC(=O)c2ccccc2C(=O)CC2CCC(C(C)(C)C)CC2)CC1
InChIInChI=1S/C30H46O2/c1-29(2,3)23-15-11-21(12-16-23)19-27(31)25-9-7-8-10-26(25)28(32)20-22-13-17-24(18-14-22)30(4,5)6/h7-10,21-24H,11-20H2,1-6H3
InChIKeyQRLJEAPZSYTTBQ-UHFFFAOYSA-N
MW438.70 g/mol
LogP8.54
Rot. Bonds6

About 2-(4-tert-butylcyclohexyl)-1-[2-[2-(4-tert-butylcyclohexyl)acetyl]phenyl]ethanone

2-(4-tert-butylcyclohexyl)-1-[2-[2-(4-tert-butylcyclohexyl)acetyl]phenyl]ethanone (PubChem CID 23596752) has the molecular formula C30H46O2 and a molecular weight of 438.70 g/mol. Its IUPAC name is 2-(4-tert-butylcyclohexyl)-1-[2-[2-(4-tert-butylcyclohexyl)acetyl]phenyl]ethanone.

Molecular Properties

Compound Name2-(4-tert-butylcyclohexyl)-1-[2-[2-(4-tert-butylcyclohexyl)acetyl]phenyl]ethanone
PubChem CID23596752
Molecular FormulaC30H46O2
Molecular Weight438.70 g/mol
Exact Mass438.35
IUPAC Name2-(4-tert-butylcyclohexyl)-1-[2-[2-(4-tert-butylcyclohexyl)acetyl]phenyl]ethanone
SMILESCC(C)(C)C1CCC(CC(=O)c2ccccc2C(=O)CC2CCC(C(C)(C)C)CC2)CC1
InChIInChI=1S/C30H46O2/c1-29(2,3)23-15-11-21(12-16-23)19-27(31)25-9-7-8-10-26(25)28(32)20-22-13-17-24(18-14-22)30(4,5)6/h7-10,21-24H,11-20H2,1-6H3
InChIKeyQRLJEAPZSYTTBQ-UHFFFAOYSA-N
XLogP8.54
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.70
LogP ≤ 58.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(4-tert-butylcyclohexyl)-1-[2-[2-(4-tert-butylcyclohexyl)acetyl]phenyl]ethanone with MolForge

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Related Compounds

2-cyclobutyl-1-(2-methylphenyl)ethanone
CID 65460155
2-cyclopropyl-1-(2-iodophenyl)ethanone
CID 114974685
2-(4-tert-butylcyclohexyl)acetic acid
CID 4150736
1-(2-chlorophenyl)-2-cyclohexylethanone
CID 62622311
methyl 2-(4-tert-butylcyclohexyl)acetate;hydrochloride
CID 141145814
3-amino-1-[2-(4-tert-butylcyclohexyl)phenyl]propan-1-one
CID 117464194
2-(4-tert-butylcyclohexyl)acetic acid;1-hydroxypyridine-2-thione
CID 175002355
2-cyclopropyl-1-(2-propoxyphenyl)ethanone
CID 104659396
2-cyclopentyl-1-(2-ethoxyphenyl)ethanone
CID 115533350
2-[[(4-tert-butylcyclohexyl)methylamino]methyl]phenol
CID 114331599
2-cyclopentyl-1-phenylethanone;hydrochloride
CID 174593040
2-cyclopentyl-1-[2-(trifluoromethoxy)phenyl]ethanone
CID 114970289

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylcyclohexyl)-1-[2-[2-(4-tert-butylcyclohexyl)acetyl]phenyl]ethanone?
The IUPAC name of 2-(4-tert-butylcyclohexyl)-1-[2-[2-(4-tert-butylcyclohexyl)acetyl]phenyl]ethanone (CID 23596752) is 2-(4-tert-butylcyclohexyl)-1-[2-[2-(4-tert-butylcyclohexyl)acetyl]phenyl]ethanone.
What is the SMILES notation for 2-(4-tert-butylcyclohexyl)-1-[2-[2-(4-tert-butylcyclohexyl)acetyl]phenyl]ethanone?
The canonical SMILES for 2-(4-tert-butylcyclohexyl)-1-[2-[2-(4-tert-butylcyclohexyl)acetyl]phenyl]ethanone is CC(C)(C)C1CCC(CC(=O)c2ccccc2C(=O)CC2CCC(C(C)(C)C)CC2)CC1.
What is the InChIKey of 2-(4-tert-butylcyclohexyl)-1-[2-[2-(4-tert-butylcyclohexyl)acetyl]phenyl]ethanone?
The InChIKey is QRLJEAPZSYTTBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H46O2/c1-29(2,3)23-15-11-21(12-16-23)19-27(31)25-9-7-8-10-26(25)28(32)20-22-13-17-24(18-14-22)30(4,5)6/h7-10,21-24H,11-20H2,1-6H3.
What are the key properties of 2-(4-tert-butylcyclohexyl)-1-[2-[2-(4-tert-butylcyclohexyl)acetyl]phenyl]ethanone?
2-(4-tert-butylcyclohexyl)-1-[2-[2-(4-tert-butylcyclohexyl)acetyl]phenyl]ethanone has a molecular weight of 438.70 g/mol, XLogP of 8.54, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylcyclohexyl)-1-[2-[2-(4-tert-butylcyclohexyl)acetyl]phenyl]ethanone is sourced from PubChem (CID 23596752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).