(5-methyl-2-propan-2-ylcyclohexyl) acetate

C12H22O2 — CID 27867

IUPAC(5-methyl-2-propan-2-ylcyclohexyl) acetate
SMILESCC(=O)OC1CC(C)CCC1C(C)C
InChIInChI=1S/C12H22O2/c1-8(2)11-6-5-9(3)7-12(11)14-10(4)13/h8-9,11-12H,5-7H2,1-4H3
InChIKeyXHXUANMFYXWVNG-UHFFFAOYSA-N
MW198.31 g/mol
LogP3.01
Rot. Bonds2

About (5-methyl-2-propan-2-ylcyclohexyl) acetate

(5-methyl-2-propan-2-ylcyclohexyl) acetate (PubChem CID 27867) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is (5-methyl-2-propan-2-ylcyclohexyl) acetate.

Molecular Properties

Compound Name(5-methyl-2-propan-2-ylcyclohexyl) acetate
PubChem CID27867
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name(5-methyl-2-propan-2-ylcyclohexyl) acetate
SMILESCC(=O)OC1CC(C)CCC1C(C)C
InChIInChI=1S/C12H22O2/c1-8(2)11-6-5-9(3)7-12(11)14-10(4)13/h8-9,11-12H,5-7H2,1-4H3
InChIKeyXHXUANMFYXWVNG-UHFFFAOYSA-N
XLogP3.01
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-2-propan-2-ylcyclohexyl) acetate?
The IUPAC name of (5-methyl-2-propan-2-ylcyclohexyl) acetate (CID 27867) is (5-methyl-2-propan-2-ylcyclohexyl) acetate.
What is the SMILES notation for (5-methyl-2-propan-2-ylcyclohexyl) acetate?
The canonical SMILES for (5-methyl-2-propan-2-ylcyclohexyl) acetate is CC(=O)OC1CC(C)CCC1C(C)C.
What is the InChIKey of (5-methyl-2-propan-2-ylcyclohexyl) acetate?
The InChIKey is XHXUANMFYXWVNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2/c1-8(2)11-6-5-9(3)7-12(11)14-10(4)13/h8-9,11-12H,5-7H2,1-4H3.
What are the key properties of (5-methyl-2-propan-2-ylcyclohexyl) acetate?
(5-methyl-2-propan-2-ylcyclohexyl) acetate has a molecular weight of 198.31 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-2-propan-2-ylcyclohexyl) acetate is sourced from PubChem (CID 27867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).