(5-methyl-2-propan-2-ylcyclohexyl) 3-methylbutanoate

C15H28O2 — CID 565690

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

About (5-methyl-2-propan-2-ylcyclohexyl) 3-methylbutanoate

(5-methyl-2-propan-2-ylcyclohexyl) 3-methylbutanoate (PubChem CID 565690) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is (5-methyl-2-propan-2-ylcyclohexyl) 3-methylbutanoate.

Molecular Properties

Compound Name(5-methyl-2-propan-2-ylcyclohexyl) 3-methylbutanoate
PubChem CID565690
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Name(5-methyl-2-propan-2-ylcyclohexyl) 3-methylbutanoate
SMILESCC(C)CC(=O)OC1CC(C)CCC1C(C)C
InChIInChI=1S/C15H28O2/c1-10(2)8-15(16)17-14-9-12(5)6-7-13(14)11(3)4/h10-14H,6-9H2,1-5H3
InChIKeyVYQSSWZYPCCBRN-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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Frequently Asked Questions

What is the IUPAC name of (5-methyl-2-propan-2-ylcyclohexyl) 3-methylbutanoate?
The IUPAC name of (5-methyl-2-propan-2-ylcyclohexyl) 3-methylbutanoate (CID 565690) is (5-methyl-2-propan-2-ylcyclohexyl) 3-methylbutanoate.
What is the SMILES notation for (5-methyl-2-propan-2-ylcyclohexyl) 3-methylbutanoate?
The canonical SMILES for (5-methyl-2-propan-2-ylcyclohexyl) 3-methylbutanoate is CC(C)CC(=O)OC1CC(C)CCC1C(C)C.
What is the InChIKey of (5-methyl-2-propan-2-ylcyclohexyl) 3-methylbutanoate?
The InChIKey is VYQSSWZYPCCBRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O2/c1-10(2)8-15(16)17-14-9-12(5)6-7-13(14)11(3)4/h10-14H,6-9H2,1-5H3.
What are the key properties of (5-methyl-2-propan-2-ylcyclohexyl) 3-methylbutanoate?
(5-methyl-2-propan-2-ylcyclohexyl) 3-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) 3-methylbutanoate is sourced from PubChem (CID 565690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).