2-cyclohexyl-2-methylpropanoate

C10H17O2- — CID 57470554

IUPAC2-cyclohexyl-2-methylpropanoate
SMILESCC(C)(C(=O)[O-])C1CCCCC1
InChIInChI=1S/C10H18O2/c1-10(2,9(11)12)8-6-4-3-5-7-8/h8H,3-7H2,1-2H3,(H,11,12)/p-1
InChIKeyLQTWWEVXGRFIDW-UHFFFAOYSA-M
MW169.24 g/mol
LogP1.34
Rot. Bonds2

About 2-cyclohexyl-2-methylpropanoate

2-cyclohexyl-2-methylpropanoate (PubChem CID 57470554) has the molecular formula C10H17O2- and a molecular weight of 169.24 g/mol. Its IUPAC name is 2-cyclohexyl-2-methylpropanoate.

Molecular Properties

Compound Name2-cyclohexyl-2-methylpropanoate
PubChem CID57470554
Molecular FormulaC10H17O2-
Molecular Weight169.24 g/mol
Exact Mass169.12
IUPAC Name2-cyclohexyl-2-methylpropanoate
SMILESCC(C)(C(=O)[O-])C1CCCCC1
InChIInChI=1S/C10H18O2/c1-10(2,9(11)12)8-6-4-3-5-7-8/h8H,3-7H2,1-2H3,(H,11,12)/p-1
InChIKeyLQTWWEVXGRFIDW-UHFFFAOYSA-M
XLogP1.34
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.24
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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4-(2-cyclohexylpropan-2-yl)cyclohexan-1-ol
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(2R)-2-azaniumyl-2-cyclopropylpropanoate
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2-cyclohexylpropane-2-thiol
CID 57421215
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CID 126587376
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CID 27966

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-methylpropanoate?
The IUPAC name of 2-cyclohexyl-2-methylpropanoate (CID 57470554) is 2-cyclohexyl-2-methylpropanoate.
What is the SMILES notation for 2-cyclohexyl-2-methylpropanoate?
The canonical SMILES for 2-cyclohexyl-2-methylpropanoate is CC(C)(C(=O)[O-])C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-2-methylpropanoate?
The InChIKey is LQTWWEVXGRFIDW-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H18O2/c1-10(2,9(11)12)8-6-4-3-5-7-8/h8H,3-7H2,1-2H3,(H,11,12)/p-1.
What are the key properties of 2-cyclohexyl-2-methylpropanoate?
2-cyclohexyl-2-methylpropanoate has a molecular weight of 169.24 g/mol, XLogP of 1.34, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-methylpropanoate is sourced from PubChem (CID 57470554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).