2-cyclohexyloxypropan-2-yl 2,4-dimethyl-2-propan-2-ylpentanoate

C19H36O3 — CID 134286032

IUPAC2-cyclohexyloxypropan-2-yl 2,4-dimethyl-2-propan-2-ylpentanoate
SMILESCC(C)CC(C)(C(=O)OC(C)(C)OC1CCCCC1)C(C)C
InChIInChI=1S/C19H36O3/c1-14(2)13-19(7,15(3)4)17(20)22-18(5,6)21-16-11-9-8-10-12-16/h14-16H,8-13H2,1-7H3
InChIKeyPWHNEXIMIHWXRH-UHFFFAOYSA-N
MW312.49 g/mol
LogP5.32
Rot. Bonds7

About 2-cyclohexyloxypropan-2-yl 2,4-dimethyl-2-propan-2-ylpentanoate

2-cyclohexyloxypropan-2-yl 2,4-dimethyl-2-propan-2-ylpentanoate (PubChem CID 134286032) has the molecular formula C19H36O3 and a molecular weight of 312.49 g/mol. Its IUPAC name is 2-cyclohexyloxypropan-2-yl 2,4-dimethyl-2-propan-2-ylpentanoate.

Molecular Properties

Compound Name2-cyclohexyloxypropan-2-yl 2,4-dimethyl-2-propan-2-ylpentanoate
PubChem CID134286032
Molecular FormulaC19H36O3
Molecular Weight312.49 g/mol
Exact Mass312.27
IUPAC Name2-cyclohexyloxypropan-2-yl 2,4-dimethyl-2-propan-2-ylpentanoate
SMILESCC(C)CC(C)(C(=O)OC(C)(C)OC1CCCCC1)C(C)C
InChIInChI=1S/C19H36O3/c1-14(2)13-19(7,15(3)4)17(20)22-18(5,6)21-16-11-9-8-10-12-16/h14-16H,8-13H2,1-7H3
InChIKeyPWHNEXIMIHWXRH-UHFFFAOYSA-N
XLogP5.32
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.49
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2,3-dimethylbutan-2-yl 2,4-dimethyl-2-propan-2-ylpentanoate
CID 90329075
2-cyclobutyloxy-2,4-dimethylpentanoic acid
CID 114995104
2-cyclohexyloxypropan-2-yl piperidine-1-carboxylate
CID 170530031
cyclohexyl 2,3,3-trimethyl-2-(2-methylpropyl)pentanoate
CID 71201522
cyclohexyl 2-methyl-2-propan-2-ylhexanoate
CID 144660072
cyclohexyloxymethyl 2-ethyl-2,4-dimethylpentanoate
CID 134286062
cyclohexyl 4-iodooxy-2,4-dimethyl-2-propan-2-ylpentanoate
CID 118422663
3-(6-bicyclo[3.2.2]nonanyl)pentan-3-yl 2,4-dimethyl-2-propan-2-ylpentanoate
CID 123544412
CID 89383756
CID 89383756
2-cyclopentyloxy-2,5-dimethylhexanoic acid
CID 114988575
cyclohexyl 2,2,3,3,4-pentamethylpentanoate
CID 149014759
2-(8-methyl-2-tricyclo[4.2.0.01,4]octanyl)propan-2-yl 2,4-dimethyl-2-propan-2-ylpentanoate
CID 123836226

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyloxypropan-2-yl 2,4-dimethyl-2-propan-2-ylpentanoate?
The IUPAC name of 2-cyclohexyloxypropan-2-yl 2,4-dimethyl-2-propan-2-ylpentanoate (CID 134286032) is 2-cyclohexyloxypropan-2-yl 2,4-dimethyl-2-propan-2-ylpentanoate.
What is the SMILES notation for 2-cyclohexyloxypropan-2-yl 2,4-dimethyl-2-propan-2-ylpentanoate?
The canonical SMILES for 2-cyclohexyloxypropan-2-yl 2,4-dimethyl-2-propan-2-ylpentanoate is CC(C)CC(C)(C(=O)OC(C)(C)OC1CCCCC1)C(C)C.
What is the InChIKey of 2-cyclohexyloxypropan-2-yl 2,4-dimethyl-2-propan-2-ylpentanoate?
The InChIKey is PWHNEXIMIHWXRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36O3/c1-14(2)13-19(7,15(3)4)17(20)22-18(5,6)21-16-11-9-8-10-12-16/h14-16H,8-13H2,1-7H3.
What are the key properties of 2-cyclohexyloxypropan-2-yl 2,4-dimethyl-2-propan-2-ylpentanoate?
2-cyclohexyloxypropan-2-yl 2,4-dimethyl-2-propan-2-ylpentanoate has a molecular weight of 312.49 g/mol, XLogP of 5.32, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyloxypropan-2-yl 2,4-dimethyl-2-propan-2-ylpentanoate is sourced from PubChem (CID 134286032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).