(4-ethyl-4-propan-2-ylcyclohexyl) acetate

C13H24O2 — CID 146244844

IUPAC(4-ethyl-4-propan-2-ylcyclohexyl) acetate
SMILESCCC1(C(C)C)CCC(OC(C)=O)CC1
InChIInChI=1S/C13H24O2/c1-5-13(10(2)3)8-6-12(7-9-13)15-11(4)14/h10,12H,5-9H2,1-4H3
InChIKeyMFKRDHVEIPUMKH-UHFFFAOYSA-N
MW212.33 g/mol
LogP3.54
Rot. Bonds3

About (4-ethyl-4-propan-2-ylcyclohexyl) acetate

(4-ethyl-4-propan-2-ylcyclohexyl) acetate (PubChem CID 146244844) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is (4-ethyl-4-propan-2-ylcyclohexyl) acetate.

Molecular Properties

Compound Name(4-ethyl-4-propan-2-ylcyclohexyl) acetate
PubChem CID146244844
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name(4-ethyl-4-propan-2-ylcyclohexyl) acetate
SMILESCCC1(C(C)C)CCC(OC(C)=O)CC1
InChIInChI=1S/C13H24O2/c1-5-13(10(2)3)8-6-12(7-9-13)15-11(4)14/h10,12H,5-9H2,1-4H3
InChIKeyMFKRDHVEIPUMKH-UHFFFAOYSA-N
XLogP3.54
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4,4-diaminocyclohexyl) acetate
CID 174708289
1,4-dioxaspiro[4.5]decan-8-yl acetate
CID 45037040
(6-acetyloxycyclodecyl) acetate
CID 539578
[4-(4-methoxycarbonyloxy-1-methylcyclohexyl)oxy-4-methylcyclohexyl] acetate
CID 59903872
cyclohexyl acetate;iodoethane
CID 174262238
[(3R)-3-methyl-3-propan-2-ylcyclohexyl] acetate
CID 123414870
cycloheptadecyl acetate
CID 57215828
7,8,15,16-tetraoxadispiro[5.2.59.26]hexadecan-12-yl acetate
CID 171402327
azane;cyclohexyl acetate
CID 174554221
cyclohexyl acetate;dihydrochloride
CID 140971070
(4,4-difluorocyclohexyl) 2-methylbutanoate
CID 167187480
[4-(diethylamino)cyclohexyl] acetate
CID 174440980

Frequently Asked Questions

What is the IUPAC name of (4-ethyl-4-propan-2-ylcyclohexyl) acetate?
The IUPAC name of (4-ethyl-4-propan-2-ylcyclohexyl) acetate (CID 146244844) is (4-ethyl-4-propan-2-ylcyclohexyl) acetate.
What is the SMILES notation for (4-ethyl-4-propan-2-ylcyclohexyl) acetate?
The canonical SMILES for (4-ethyl-4-propan-2-ylcyclohexyl) acetate is CCC1(C(C)C)CCC(OC(C)=O)CC1.
What is the InChIKey of (4-ethyl-4-propan-2-ylcyclohexyl) acetate?
The InChIKey is MFKRDHVEIPUMKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2/c1-5-13(10(2)3)8-6-12(7-9-13)15-11(4)14/h10,12H,5-9H2,1-4H3.
What are the key properties of (4-ethyl-4-propan-2-ylcyclohexyl) acetate?
(4-ethyl-4-propan-2-ylcyclohexyl) acetate has a molecular weight of 212.33 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethyl-4-propan-2-ylcyclohexyl) acetate is sourced from PubChem (CID 146244844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).