(5-methyl-2-propan-2-ylcyclohexyl) 2-(4-methylphenyl)acetate

C19H28O2 — CID 23517331

IUPAC(5-methyl-2-propan-2-ylcyclohexyl) 2-(4-methylphenyl)acetate
SMILESCc1ccc(CC(=O)OC2CC(C)CCC2C(C)C)cc1
InChIInChI=1S/C19H28O2/c1-13(2)17-10-7-15(4)11-18(17)21-19(20)12-16-8-5-14(3)6-9-16/h5-6,8-9,13,15,17-18H,7,10-12H2,1-4H3
InChIKeyQSOGCEVFYUHQRO-UHFFFAOYSA-N
MW288.43 g/mol
LogP4.54
Rot. Bonds4

About (5-methyl-2-propan-2-ylcyclohexyl) 2-(4-methylphenyl)acetate

(5-methyl-2-propan-2-ylcyclohexyl) 2-(4-methylphenyl)acetate (PubChem CID 23517331) has the molecular formula C19H28O2 and a molecular weight of 288.43 g/mol. Its IUPAC name is (5-methyl-2-propan-2-ylcyclohexyl) 2-(4-methylphenyl)acetate.

Molecular Properties

Compound Name(5-methyl-2-propan-2-ylcyclohexyl) 2-(4-methylphenyl)acetate
PubChem CID23517331
Molecular FormulaC19H28O2
Molecular Weight288.43 g/mol
Exact Mass288.21
IUPAC Name(5-methyl-2-propan-2-ylcyclohexyl) 2-(4-methylphenyl)acetate
SMILESCc1ccc(CC(=O)OC2CC(C)CCC2C(C)C)cc1
InChIInChI=1S/C19H28O2/c1-13(2)17-10-7-15(4)11-18(17)21-19(20)12-16-8-5-14(3)6-9-16/h5-6,8-9,13,15,17-18H,7,10-12H2,1-4H3
InChIKeyQSOGCEVFYUHQRO-UHFFFAOYSA-N
XLogP4.54
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-hydroxyacetate
CID 39870900
[2-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2-oxoethyl] 2-[(4-methylbenzoyl)amino]acetate
CID 7800440
(5-methyl-2-propan-2-ylcyclohexyl) 2-(2-aminophenyl)acetate
CID 61308508
bis[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] propanedioate
CID 14226058
1-O-(5-methyl-2-propan-2-ylcyclohexyl) 4-O-[(5R)-5-methyl-2-propan-2-ylcyclohexyl] butanedioate
CID 70248919
1-O-[(1S,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl] 4-O-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] butanedioate
CID 124925356
[(5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-bromoacetate
CID 172731984
cis-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (1S,2R)-2-(4-methylphenyl)cyclopropane-1-carboxylate
CID 101169926
[(5S)-5-methyl-2-propan-2-ylcyclohexyl] 2-[4-(quinolin-2-ylmethoxy)phenyl]acetate
CID 24832533
[2-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2-oxoethyl] 2,4-dimethylbenzoate
CID 2358274
[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-(5-oxocyclopenten-1-yl)acetate
CID 71174701
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-(5-oxocyclopenten-1-yl)acetate
CID 71174785

Frequently Asked Questions

What is the IUPAC name of (5-methyl-2-propan-2-ylcyclohexyl) 2-(4-methylphenyl)acetate?
The IUPAC name of (5-methyl-2-propan-2-ylcyclohexyl) 2-(4-methylphenyl)acetate (CID 23517331) is (5-methyl-2-propan-2-ylcyclohexyl) 2-(4-methylphenyl)acetate.
What is the SMILES notation for (5-methyl-2-propan-2-ylcyclohexyl) 2-(4-methylphenyl)acetate?
The canonical SMILES for (5-methyl-2-propan-2-ylcyclohexyl) 2-(4-methylphenyl)acetate is Cc1ccc(CC(=O)OC2CC(C)CCC2C(C)C)cc1.
What is the InChIKey of (5-methyl-2-propan-2-ylcyclohexyl) 2-(4-methylphenyl)acetate?
The InChIKey is QSOGCEVFYUHQRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28O2/c1-13(2)17-10-7-15(4)11-18(17)21-19(20)12-16-8-5-14(3)6-9-16/h5-6,8-9,13,15,17-18H,7,10-12H2,1-4H3.
What are the key properties of (5-methyl-2-propan-2-ylcyclohexyl) 2-(4-methylphenyl)acetate?
(5-methyl-2-propan-2-ylcyclohexyl) 2-(4-methylphenyl)acetate has a molecular weight of 288.43 g/mol, XLogP of 4.54, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-2-propan-2-ylcyclohexyl) 2-(4-methylphenyl)acetate is sourced from PubChem (CID 23517331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).