cyclohexyl 2-methyl-2-propan-2-ylhexanoate

C16H30O2 — CID 144660072

IUPACcyclohexyl 2-methyl-2-propan-2-ylhexanoate
SMILESCCCCC(C)(C(=O)OC1CCCCC1)C(C)C
InChIInChI=1S/C16H30O2/c1-5-6-12-16(4,13(2)3)15(17)18-14-10-8-7-9-11-14/h13-14H,5-12H2,1-4H3
InChIKeyWYIQOPYTIJWJCS-UHFFFAOYSA-N
MW254.41 g/mol
LogP4.71
Rot. Bonds6

About cyclohexyl 2-methyl-2-propan-2-ylhexanoate

cyclohexyl 2-methyl-2-propan-2-ylhexanoate (PubChem CID 144660072) has the molecular formula C16H30O2 and a molecular weight of 254.41 g/mol. Its IUPAC name is cyclohexyl 2-methyl-2-propan-2-ylhexanoate.

Molecular Properties

Compound Namecyclohexyl 2-methyl-2-propan-2-ylhexanoate
PubChem CID144660072
Molecular FormulaC16H30O2
Molecular Weight254.41 g/mol
Exact Mass254.22
IUPAC Namecyclohexyl 2-methyl-2-propan-2-ylhexanoate
SMILESCCCCC(C)(C(=O)OC1CCCCC1)C(C)C
InChIInChI=1S/C16H30O2/c1-5-6-12-16(4,13(2)3)15(17)18-14-10-8-7-9-11-14/h13-14H,5-12H2,1-4H3
InChIKeyWYIQOPYTIJWJCS-UHFFFAOYSA-N
XLogP4.71
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.41
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

cyclohexyl 4-iodooxy-2,4-dimethyl-2-propan-2-ylpentanoate
CID 118422663
cyclohexyl 2-ethyl-2-propan-2-ylperoxyhexanoate
CID 57072756
cyclohexyl 2,2,3,3,4-pentamethylpentanoate
CID 149014759
1-cyclopentyloxybutyl 2-methyl-2-propan-2-ylpentanoate
CID 144561227
cyclohexyl 2-methyl-2-(2-methylpropanoyloxy)propanoate
CID 155589409
tricyclohexyl propane-1,1,1-tricarboxylate
CID 141164819
cyclohexyl 2-methyl-3-propan-2-yloxy-2-(propan-2-yloxymethyl)propanoate
CID 145213360
cyclohexyl 2,3,3-trimethyl-2-(2-methylpropyl)pentanoate
CID 71201522
cyclohexyl 3-dodecylheptadecanoate
CID 23148804
tert-butyl 2,2-dimethylpropanoate;bis(cyclohexyl 2,2-dimethylpropanoate)
CID 159925265
cycloheptyl 2-methyl-2-(trifluoromethyl)butanoate
CID 59422991
1-cyclohexyloxycarbonyloxyethyl (2R)-2-propyloctanoate
CID 11696129

Frequently Asked Questions

What is the IUPAC name of cyclohexyl 2-methyl-2-propan-2-ylhexanoate?
The IUPAC name of cyclohexyl 2-methyl-2-propan-2-ylhexanoate (CID 144660072) is cyclohexyl 2-methyl-2-propan-2-ylhexanoate.
What is the SMILES notation for cyclohexyl 2-methyl-2-propan-2-ylhexanoate?
The canonical SMILES for cyclohexyl 2-methyl-2-propan-2-ylhexanoate is CCCCC(C)(C(=O)OC1CCCCC1)C(C)C.
What is the InChIKey of cyclohexyl 2-methyl-2-propan-2-ylhexanoate?
The InChIKey is WYIQOPYTIJWJCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O2/c1-5-6-12-16(4,13(2)3)15(17)18-14-10-8-7-9-11-14/h13-14H,5-12H2,1-4H3.
What are the key properties of cyclohexyl 2-methyl-2-propan-2-ylhexanoate?
cyclohexyl 2-methyl-2-propan-2-ylhexanoate has a molecular weight of 254.41 g/mol, XLogP of 4.71, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 2-methyl-2-propan-2-ylhexanoate is sourced from PubChem (CID 144660072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).