2-methylpropyl 2-cyclohexyl-2-methylpropanoate

C14H26O2 — CID 162502207

IUPAC2-methylpropyl 2-cyclohexyl-2-methylpropanoate
SMILESCC(C)COC(=O)C(C)(C)C1CCCCC1
InChIInChI=1S/C14H26O2/c1-11(2)10-16-13(15)14(3,4)12-8-6-5-7-9-12/h11-12H,5-10H2,1-4H3
InChIKeyJARCWLQFSYQEIE-UHFFFAOYSA-N
MW226.36 g/mol
LogP3.79
Rot. Bonds4

About 2-methylpropyl 2-cyclohexyl-2-methylpropanoate

2-methylpropyl 2-cyclohexyl-2-methylpropanoate (PubChem CID 162502207) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is 2-methylpropyl 2-cyclohexyl-2-methylpropanoate.

Molecular Properties

Compound Name2-methylpropyl 2-cyclohexyl-2-methylpropanoate
PubChem CID162502207
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name2-methylpropyl 2-cyclohexyl-2-methylpropanoate
SMILESCC(C)COC(=O)C(C)(C)C1CCCCC1
InChIInChI=1S/C14H26O2/c1-11(2)10-16-13(15)14(3,4)12-8-6-5-7-9-12/h11-12H,5-10H2,1-4H3
InChIKeyJARCWLQFSYQEIE-UHFFFAOYSA-N
XLogP3.79
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 2-cyclohexyl-2-methylpropanoate?
The IUPAC name of 2-methylpropyl 2-cyclohexyl-2-methylpropanoate (CID 162502207) is 2-methylpropyl 2-cyclohexyl-2-methylpropanoate.
What is the SMILES notation for 2-methylpropyl 2-cyclohexyl-2-methylpropanoate?
The canonical SMILES for 2-methylpropyl 2-cyclohexyl-2-methylpropanoate is CC(C)COC(=O)C(C)(C)C1CCCCC1.
What is the InChIKey of 2-methylpropyl 2-cyclohexyl-2-methylpropanoate?
The InChIKey is JARCWLQFSYQEIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2/c1-11(2)10-16-13(15)14(3,4)12-8-6-5-7-9-12/h11-12H,5-10H2,1-4H3.
What are the key properties of 2-methylpropyl 2-cyclohexyl-2-methylpropanoate?
2-methylpropyl 2-cyclohexyl-2-methylpropanoate has a molecular weight of 226.36 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 2-cyclohexyl-2-methylpropanoate is sourced from PubChem (CID 162502207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).