cyclohexyl 2,3,3-trimethyl-2-(2-methylpropyl)pentanoate

C18H34O2 — CID 71201522

IUPACcyclohexyl 2,3,3-trimethyl-2-(2-methylpropyl)pentanoate
SMILESCCC(C)(C)C(C)(CC(C)C)C(=O)OC1CCCCC1
InChIInChI=1S/C18H34O2/c1-7-17(4,5)18(6,13-14(2)3)16(19)20-15-11-9-8-10-12-15/h14-15H,7-13H2,1-6H3
InChIKeyYGUDWPSUFYLZOG-UHFFFAOYSA-N
MW282.47 g/mol
LogP5.35
Rot. Bonds6

About cyclohexyl 2,3,3-trimethyl-2-(2-methylpropyl)pentanoate

cyclohexyl 2,3,3-trimethyl-2-(2-methylpropyl)pentanoate (PubChem CID 71201522) has the molecular formula C18H34O2 and a molecular weight of 282.47 g/mol. Its IUPAC name is cyclohexyl 2,3,3-trimethyl-2-(2-methylpropyl)pentanoate.

Molecular Properties

Compound Namecyclohexyl 2,3,3-trimethyl-2-(2-methylpropyl)pentanoate
PubChem CID71201522
Molecular FormulaC18H34O2
Molecular Weight282.47 g/mol
Exact Mass282.26
IUPAC Namecyclohexyl 2,3,3-trimethyl-2-(2-methylpropyl)pentanoate
SMILESCCC(C)(C)C(C)(CC(C)C)C(=O)OC1CCCCC1
InChIInChI=1S/C18H34O2/c1-7-17(4,5)18(6,13-14(2)3)16(19)20-15-11-9-8-10-12-15/h14-15H,7-13H2,1-6H3
InChIKeyYGUDWPSUFYLZOG-UHFFFAOYSA-N
XLogP5.35
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.47
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

cycloheptyl 2-methyl-2-(trifluoromethyl)butanoate
CID 59422991
tert-butyl 2,3,3-trimethyl-2-(2-methylpropyl)pentanoate
CID 88590008
cyclohexyloxymethyl 2-ethyl-2,4-dimethylpentanoate
CID 134286062
tricyclohexyl propane-1,1,1-tricarboxylate
CID 141164819
(1-cyclohexyloxy-2,2-dimethylpropyl) 2-ethyl-2,4-dimethylpentanoate
CID 134286060
cyclohexyl 2,2,3,3,4-pentamethylpentanoate
CID 149014759
cyclohexyl 2-methyl-3-propan-2-yloxy-2-(propan-2-yloxymethyl)propanoate
CID 145213360
cyclohexyl 2-methyl-2-propan-2-ylhexanoate
CID 144660072
(1-cyclohexyloxy-3,3-dimethylbutyl) 2-tert-butyl-2,4-dimethylpentanoate
CID 144560546
1-cyclohexyloxyethyl 2-ethyl-2-methylbutanoate
CID 176856964
pentacyclopentyl 1,1,3,5,7,9-hexamethylundecane-1,3,5,7,9-pentacarboxylate
CID 66603061
cycloheptyl (2R)-2-amino-4-methylpentanoate
CID 78976122

Frequently Asked Questions

What is the IUPAC name of cyclohexyl 2,3,3-trimethyl-2-(2-methylpropyl)pentanoate?
The IUPAC name of cyclohexyl 2,3,3-trimethyl-2-(2-methylpropyl)pentanoate (CID 71201522) is cyclohexyl 2,3,3-trimethyl-2-(2-methylpropyl)pentanoate.
What is the SMILES notation for cyclohexyl 2,3,3-trimethyl-2-(2-methylpropyl)pentanoate?
The canonical SMILES for cyclohexyl 2,3,3-trimethyl-2-(2-methylpropyl)pentanoate is CCC(C)(C)C(C)(CC(C)C)C(=O)OC1CCCCC1.
What is the InChIKey of cyclohexyl 2,3,3-trimethyl-2-(2-methylpropyl)pentanoate?
The InChIKey is YGUDWPSUFYLZOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O2/c1-7-17(4,5)18(6,13-14(2)3)16(19)20-15-11-9-8-10-12-15/h14-15H,7-13H2,1-6H3.
What are the key properties of cyclohexyl 2,3,3-trimethyl-2-(2-methylpropyl)pentanoate?
cyclohexyl 2,3,3-trimethyl-2-(2-methylpropyl)pentanoate has a molecular weight of 282.47 g/mol, XLogP of 5.35, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 2,3,3-trimethyl-2-(2-methylpropyl)pentanoate is sourced from PubChem (CID 71201522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).