2-cyclohexylpropan-2-yl 2-ethyl-2,4,4-trimethylpentanoate

C19H36O2 — CID 144518122

IUPAC2-cyclohexylpropan-2-yl 2-ethyl-2,4,4-trimethylpentanoate
SMILESCCC(C)(CC(C)(C)C)C(=O)OC(C)(C)C1CCCCC1
InChIInChI=1S/C19H36O2/c1-8-19(7,14-17(2,3)4)16(20)21-18(5,6)15-12-10-9-11-13-15/h15H,8-14H2,1-7H3
InChIKeyQHYQGJNXSKITER-UHFFFAOYSA-N
MW296.50 g/mol
LogP5.74
Rot. Bonds5

About 2-cyclohexylpropan-2-yl 2-ethyl-2,4,4-trimethylpentanoate

2-cyclohexylpropan-2-yl 2-ethyl-2,4,4-trimethylpentanoate (PubChem CID 144518122) has the molecular formula C19H36O2 and a molecular weight of 296.50 g/mol. Its IUPAC name is 2-cyclohexylpropan-2-yl 2-ethyl-2,4,4-trimethylpentanoate.

Molecular Properties

Compound Name2-cyclohexylpropan-2-yl 2-ethyl-2,4,4-trimethylpentanoate
PubChem CID144518122
Molecular FormulaC19H36O2
Molecular Weight296.50 g/mol
Exact Mass296.27
IUPAC Name2-cyclohexylpropan-2-yl 2-ethyl-2,4,4-trimethylpentanoate
SMILESCCC(C)(CC(C)(C)C)C(=O)OC(C)(C)C1CCCCC1
InChIInChI=1S/C19H36O2/c1-8-19(7,14-17(2,3)4)16(20)21-18(5,6)15-12-10-9-11-13-15/h15H,8-14H2,1-7H3
InChIKeyQHYQGJNXSKITER-UHFFFAOYSA-N
XLogP5.74
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.50
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclohexylpropan-2-yl 2-tert-butyl-2-methylpentanoate
CID 123782316
3-cyclohexylpentan-3-yl 4-amino-2-ethyl-2,4-dimethylpentanoate
CID 123963982
2-cyclohexylpropan-2-yl 2-butan-2-yl-2,4,4-trimethylpentanoate
CID 123182543
[2-(2-cyclopentylpropan-2-yloxy)-2-oxoethyl] 2-tert-butyl-2,4,4-trimethylpentanoate
CID 91322686
2-cyclooctylbutan-2-yl acetate
CID 177097469
2-cycloheptylpropan-2-yl 2-methyl-2-(1-methylcyclopropyl)pentanoate
CID 123993040
5-acetyl-3-(2,2-dimethylpropyl)-7-ethyl-3,5,7-trimethylnonane-2,8-dione
CID 130177463
2-cyclohexylpropan-2-yl hydroxy carbonate
CID 23207841
[1-(2-cyclohexylpropan-2-yloxy)-2-methyl-1-oxopropan-2-yl] 4,4,4-trifluoro-3-hydroxy-3-methylbutanoate
CID 130305162
1-O,2-O-ditert-butyl 4-O-cyclohexyl 2,4-dimethylhexane-1,2,4-tricarboxylate
CID 22944820
2-cycloheptylpropan-2-yl 2-methylprop-2-enoate
CID 139975270
2-[4-(2-hydroxypropan-2-yl)cyclohexyl]propan-2-yl 2,2-dimethylbutanoate
CID 58291384

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylpropan-2-yl 2-ethyl-2,4,4-trimethylpentanoate?
The IUPAC name of 2-cyclohexylpropan-2-yl 2-ethyl-2,4,4-trimethylpentanoate (CID 144518122) is 2-cyclohexylpropan-2-yl 2-ethyl-2,4,4-trimethylpentanoate.
What is the SMILES notation for 2-cyclohexylpropan-2-yl 2-ethyl-2,4,4-trimethylpentanoate?
The canonical SMILES for 2-cyclohexylpropan-2-yl 2-ethyl-2,4,4-trimethylpentanoate is CCC(C)(CC(C)(C)C)C(=O)OC(C)(C)C1CCCCC1.
What is the InChIKey of 2-cyclohexylpropan-2-yl 2-ethyl-2,4,4-trimethylpentanoate?
The InChIKey is QHYQGJNXSKITER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36O2/c1-8-19(7,14-17(2,3)4)16(20)21-18(5,6)15-12-10-9-11-13-15/h15H,8-14H2,1-7H3.
What are the key properties of 2-cyclohexylpropan-2-yl 2-ethyl-2,4,4-trimethylpentanoate?
2-cyclohexylpropan-2-yl 2-ethyl-2,4,4-trimethylpentanoate has a molecular weight of 296.50 g/mol, XLogP of 5.74, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylpropan-2-yl 2-ethyl-2,4,4-trimethylpentanoate is sourced from PubChem (CID 144518122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).