cyclohexyl 2,2,3,3,4-pentamethylpentanoate

C16H30O2 — CID 149014759

IUPACcyclohexyl 2,2,3,3,4-pentamethylpentanoate
SMILESCC(C)C(C)(C)C(C)(C)C(=O)OC1CCCCC1
InChIInChI=1S/C16H30O2/c1-12(2)15(3,4)16(5,6)14(17)18-13-10-8-7-9-11-13/h12-13H,7-11H2,1-6H3
InChIKeyQCHXVMUZPAPKBA-UHFFFAOYSA-N
MW254.41 g/mol
LogP4.57
Rot. Bonds4

About cyclohexyl 2,2,3,3,4-pentamethylpentanoate

cyclohexyl 2,2,3,3,4-pentamethylpentanoate (PubChem CID 149014759) has the molecular formula C16H30O2 and a molecular weight of 254.41 g/mol. Its IUPAC name is cyclohexyl 2,2,3,3,4-pentamethylpentanoate.

Molecular Properties

Compound Namecyclohexyl 2,2,3,3,4-pentamethylpentanoate
PubChem CID149014759
Molecular FormulaC16H30O2
Molecular Weight254.41 g/mol
Exact Mass254.22
IUPAC Namecyclohexyl 2,2,3,3,4-pentamethylpentanoate
SMILESCC(C)C(C)(C)C(C)(C)C(=O)OC1CCCCC1
InChIInChI=1S/C16H30O2/c1-12(2)15(3,4)16(5,6)14(17)18-13-10-8-7-9-11-13/h12-13H,7-11H2,1-6H3
InChIKeyQCHXVMUZPAPKBA-UHFFFAOYSA-N
XLogP4.57
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.41
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

cyclohexyl 2-methyl-2-(2-methylpropanoyloxy)propanoate
CID 155589409
tert-butyl 2,2-dimethylpropanoate;bis(cyclohexyl 2,2-dimethylpropanoate)
CID 159925265
cyclohexyl 2-methyl-2-propan-2-ylhexanoate
CID 144660072
cyclohexyl 2-methyl-3-propan-2-yloxy-2-(propan-2-yloxymethyl)propanoate
CID 145213360
2-chloropropan-2-yl cyclohexyl carbonate
CID 163283556
cyclohexyl 4-iodooxy-2,4-dimethyl-2-propan-2-ylpentanoate
CID 118422663
cyclohexyl 2,3,3-trimethyl-2-(2-methylpropyl)pentanoate
CID 71201522
tricyclohexyl propane-1,1,1-tricarboxylate
CID 141164819
tert-butyl (4-cyclohexyloxycarbonyloxycyclohexyl) carbonate
CID 23066168
3-O-tert-butyl 1-O-cyclohexyl 2-aminopropanedioate
CID 174598991
cyclobutyl 2,2,2-triaminoacetate
CID 163606846
cycloheptyl 2-bromo-2,2-difluoroacetate
CID 135281025

Frequently Asked Questions

What is the IUPAC name of cyclohexyl 2,2,3,3,4-pentamethylpentanoate?
The IUPAC name of cyclohexyl 2,2,3,3,4-pentamethylpentanoate (CID 149014759) is cyclohexyl 2,2,3,3,4-pentamethylpentanoate.
What is the SMILES notation for cyclohexyl 2,2,3,3,4-pentamethylpentanoate?
The canonical SMILES for cyclohexyl 2,2,3,3,4-pentamethylpentanoate is CC(C)C(C)(C)C(C)(C)C(=O)OC1CCCCC1.
What is the InChIKey of cyclohexyl 2,2,3,3,4-pentamethylpentanoate?
The InChIKey is QCHXVMUZPAPKBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O2/c1-12(2)15(3,4)16(5,6)14(17)18-13-10-8-7-9-11-13/h12-13H,7-11H2,1-6H3.
What are the key properties of cyclohexyl 2,2,3,3,4-pentamethylpentanoate?
cyclohexyl 2,2,3,3,4-pentamethylpentanoate has a molecular weight of 254.41 g/mol, XLogP of 4.57, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 2,2,3,3,4-pentamethylpentanoate is sourced from PubChem (CID 149014759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).