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

C15H28O2 — CID 27868

IUPAC(5-methyl-2-propan-2-ylcyclohexyl) 2-methylbutanoate
SMILESCCC(C)C(=O)OC1CC(C)CCC1C(C)C
InChIInChI=1S/C15H28O2/c1-6-12(5)15(16)17-14-9-11(4)7-8-13(14)10(2)3/h10-14H,6-9H2,1-5H3
InChIKeyFGHREPYEIHRUKM-UHFFFAOYSA-N
MW240.39 g/mol
LogP4.04
Rot. Bonds4

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

(5-methyl-2-propan-2-ylcyclohexyl) 2-methylbutanoate (PubChem CID 27868) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is (5-methyl-2-propan-2-ylcyclohexyl) 2-methylbutanoate.

Molecular Properties

Compound Name(5-methyl-2-propan-2-ylcyclohexyl) 2-methylbutanoate
PubChem CID27868
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Name(5-methyl-2-propan-2-ylcyclohexyl) 2-methylbutanoate
SMILESCCC(C)C(=O)OC1CC(C)CCC1C(C)C
InChIInChI=1S/C15H28O2/c1-6-12(5)15(16)17-14-9-11(4)7-8-13(14)10(2)3/h10-14H,6-9H2,1-5H3
InChIKeyFGHREPYEIHRUKM-UHFFFAOYSA-N
XLogP4.04
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Menthyl acetate
CID 27867
L-Menthyl acetate
CID 220674
Menthyl isovalerate, (+-)-
CID 119900
Conifer acetate
CID 62240
Dihydromintlactone
CID 14344497
(+)-Menthyl acetate
CID 62335
Menthyl formate
CID 102772
2-tert-Butylcyclohexyl acetate
CID 62334
(+)-Neomenthyl acetate
CID 75699
Menthyl acetoacetate, (-)-
CID 11413787
Menthyl 3-hydroxybutyrate, (-)-
CID 10220444
Butanoic acid, 3-methyl-, 5-methyl-2-(1-methylethyl)cyclohexyl ester
CID 565690

Frequently Asked Questions

What is the IUPAC name of (5-methyl-2-propan-2-ylcyclohexyl) 2-methylbutanoate?
The IUPAC name of (5-methyl-2-propan-2-ylcyclohexyl) 2-methylbutanoate (CID 27868) is (5-methyl-2-propan-2-ylcyclohexyl) 2-methylbutanoate.
What is the SMILES notation for (5-methyl-2-propan-2-ylcyclohexyl) 2-methylbutanoate?
The canonical SMILES for (5-methyl-2-propan-2-ylcyclohexyl) 2-methylbutanoate is CCC(C)C(=O)OC1CC(C)CCC1C(C)C.
What is the InChIKey of (5-methyl-2-propan-2-ylcyclohexyl) 2-methylbutanoate?
The InChIKey is FGHREPYEIHRUKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O2/c1-6-12(5)15(16)17-14-9-11(4)7-8-13(14)10(2)3/h10-14H,6-9H2,1-5H3.
What are the key properties of (5-methyl-2-propan-2-ylcyclohexyl) 2-methylbutanoate?
(5-methyl-2-propan-2-ylcyclohexyl) 2-methylbutanoate has a molecular weight of 240.39 g/mol, XLogP of 4.04, 4 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) 2-methylbutanoate is sourced from PubChem (CID 27868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).