cyclohexyl 2-methyl-3-propan-2-yloxy-2-(propan-2-yloxymethyl)propanoate

C17H32O4 — CID 145213360

IUPACcyclohexyl 2-methyl-3-propan-2-yloxy-2-(propan-2-yloxymethyl)propanoate
SMILESCC(C)OCC(C)(COC(C)C)C(=O)OC1CCCCC1
InChIInChI=1S/C17H32O4/c1-13(2)19-11-17(5,12-20-14(3)4)16(18)21-15-9-7-6-8-10-15/h13-15H,6-12H2,1-5H3
InChIKeyCPGVVDJQVDEIFM-UHFFFAOYSA-N
MW300.44 g/mol
LogP3.72
Rot. Bonds8

About cyclohexyl 2-methyl-3-propan-2-yloxy-2-(propan-2-yloxymethyl)propanoate

cyclohexyl 2-methyl-3-propan-2-yloxy-2-(propan-2-yloxymethyl)propanoate (PubChem CID 145213360) has the molecular formula C17H32O4 and a molecular weight of 300.44 g/mol. Its IUPAC name is cyclohexyl 2-methyl-3-propan-2-yloxy-2-(propan-2-yloxymethyl)propanoate.

Molecular Properties

Compound Namecyclohexyl 2-methyl-3-propan-2-yloxy-2-(propan-2-yloxymethyl)propanoate
PubChem CID145213360
Molecular FormulaC17H32O4
Molecular Weight300.44 g/mol
Exact Mass300.23
IUPAC Namecyclohexyl 2-methyl-3-propan-2-yloxy-2-(propan-2-yloxymethyl)propanoate
SMILESCC(C)OCC(C)(COC(C)C)C(=O)OC1CCCCC1
InChIInChI=1S/C17H32O4/c1-13(2)19-11-17(5,12-20-14(3)4)16(18)21-15-9-7-6-8-10-15/h13-15H,6-12H2,1-5H3
InChIKeyCPGVVDJQVDEIFM-UHFFFAOYSA-N
XLogP3.72
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.44
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze cyclohexyl 2-methyl-3-propan-2-yloxy-2-(propan-2-yloxymethyl)propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cyclohexyl 2,2,3,3,4-pentamethylpentanoate
CID 149014759
pentacyclopentyl 1,1,3,5,7,9-hexamethylundecane-1,3,5,7,9-pentacarboxylate
CID 66603061
cyclohexyl 2-methyl-2-(2-methylpropanoyloxy)propanoate
CID 155589409
tricyclohexyl propane-1,1,1-tricarboxylate
CID 141164819
cyclohexyl 3-cyclohexylbutanoate
CID 129263985
cyclohexyl 2-methyl-2-propan-2-ylhexanoate
CID 144660072
cyclohexyl 2,3,3-trimethyl-2-(2-methylpropyl)pentanoate
CID 71201522
cyclohexyl 4-iodooxy-2,4-dimethyl-2-propan-2-ylpentanoate
CID 118422663
tert-butyl 2,2-dimethylpropanoate;bis(cyclohexyl 2,2-dimethylpropanoate)
CID 159925265
cyclohexyl 3-chlorobutanoate
CID 19736706
cycloheptyl 2-methyl-2-(trifluoromethyl)butanoate
CID 59422991
cyclohexyl 4-(2-propan-2-yloxyethoxy)butanoate
CID 121470128

Frequently Asked Questions

What is the IUPAC name of cyclohexyl 2-methyl-3-propan-2-yloxy-2-(propan-2-yloxymethyl)propanoate?
The IUPAC name of cyclohexyl 2-methyl-3-propan-2-yloxy-2-(propan-2-yloxymethyl)propanoate (CID 145213360) is cyclohexyl 2-methyl-3-propan-2-yloxy-2-(propan-2-yloxymethyl)propanoate.
What is the SMILES notation for cyclohexyl 2-methyl-3-propan-2-yloxy-2-(propan-2-yloxymethyl)propanoate?
The canonical SMILES for cyclohexyl 2-methyl-3-propan-2-yloxy-2-(propan-2-yloxymethyl)propanoate is CC(C)OCC(C)(COC(C)C)C(=O)OC1CCCCC1.
What is the InChIKey of cyclohexyl 2-methyl-3-propan-2-yloxy-2-(propan-2-yloxymethyl)propanoate?
The InChIKey is CPGVVDJQVDEIFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O4/c1-13(2)19-11-17(5,12-20-14(3)4)16(18)21-15-9-7-6-8-10-15/h13-15H,6-12H2,1-5H3.
What are the key properties of cyclohexyl 2-methyl-3-propan-2-yloxy-2-(propan-2-yloxymethyl)propanoate?
cyclohexyl 2-methyl-3-propan-2-yloxy-2-(propan-2-yloxymethyl)propanoate has a molecular weight of 300.44 g/mol, XLogP of 3.72, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 2-methyl-3-propan-2-yloxy-2-(propan-2-yloxymethyl)propanoate is sourced from PubChem (CID 145213360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).