(4-methyl-1-propan-2-ylcyclohexyl) 2-methylbutanoate

C15H28O2 — CID 59445796

IUPAC(4-methyl-1-propan-2-ylcyclohexyl) 2-methylbutanoate
SMILESCCC(C)C(=O)OC1(C(C)C)CCC(C)CC1
InChIInChI=1S/C15H28O2/c1-6-13(5)14(16)17-15(11(2)3)9-7-12(4)8-10-15/h11-13H,6-10H2,1-5H3
InChIKeyCGTDLLDEWDSBOP-UHFFFAOYSA-N
MW240.39 g/mol
LogP4.18
Rot. Bonds4

About (4-methyl-1-propan-2-ylcyclohexyl) 2-methylbutanoate

(4-methyl-1-propan-2-ylcyclohexyl) 2-methylbutanoate (PubChem CID 59445796) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is (4-methyl-1-propan-2-ylcyclohexyl) 2-methylbutanoate.

Molecular Properties

Compound Name(4-methyl-1-propan-2-ylcyclohexyl) 2-methylbutanoate
PubChem CID59445796
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Name(4-methyl-1-propan-2-ylcyclohexyl) 2-methylbutanoate
SMILESCCC(C)C(=O)OC1(C(C)C)CCC(C)CC1
InChIInChI=1S/C15H28O2/c1-6-13(5)14(16)17-15(11(2)3)9-7-12(4)8-10-15/h11-13H,6-10H2,1-5H3
InChIKeyCGTDLLDEWDSBOP-UHFFFAOYSA-N
XLogP4.18
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 ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-methyl-1-propan-2-ylcyclohexyl) 2-hydroxyacetate
CID 174739321
(1-pentan-3-ylcyclopentyl) 2-methylbutanoate
CID 121368391
(1,2,2,5-tetramethylcyclopentyl) 2-methylbutanoate
CID 18731038
1-butan-2-yl-4-methylcyclohexane-1-carboxylic acid
CID 79424984
(4,4-difluorocyclohexyl) 2-methylbutanoate
CID 167187480
(1,8-dihydroxy-3-tricyclo[4.3.1.13,8]undecanyl) 2-methylbutanoate
CID 20752223
ethyl 6-methyl-1-oxaspiro[2.5]octane-2-carboxylate
CID 10856446
[2-(1-methylcyclohexyl)-2-adamantyl] 2-methylbutanoate
CID 122644604
[1-(3-methylpentan-3-yl)cyclopentyl] 2-methylbutanoate
CID 122644606
(1-butylcyclopentyl) 2-methylbutanoate
CID 58776787
4-methyl-1-propan-2-ylcyclohexane-1-carboxylic acid
CID 79425643
[1-(2-bicyclo[2.2.1]heptanyl)cyclopentyl] 2-methylbutanoate
CID 21131318

Frequently Asked Questions

What is the IUPAC name of (4-methyl-1-propan-2-ylcyclohexyl) 2-methylbutanoate?
The IUPAC name of (4-methyl-1-propan-2-ylcyclohexyl) 2-methylbutanoate (CID 59445796) is (4-methyl-1-propan-2-ylcyclohexyl) 2-methylbutanoate.
What is the SMILES notation for (4-methyl-1-propan-2-ylcyclohexyl) 2-methylbutanoate?
The canonical SMILES for (4-methyl-1-propan-2-ylcyclohexyl) 2-methylbutanoate is CCC(C)C(=O)OC1(C(C)C)CCC(C)CC1.
What is the InChIKey of (4-methyl-1-propan-2-ylcyclohexyl) 2-methylbutanoate?
The InChIKey is CGTDLLDEWDSBOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O2/c1-6-13(5)14(16)17-15(11(2)3)9-7-12(4)8-10-15/h11-13H,6-10H2,1-5H3.
What are the key properties of (4-methyl-1-propan-2-ylcyclohexyl) 2-methylbutanoate?
(4-methyl-1-propan-2-ylcyclohexyl) 2-methylbutanoate has a molecular weight of 240.39 g/mol, XLogP of 4.18, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-1-propan-2-ylcyclohexyl) 2-methylbutanoate is sourced from PubChem (CID 59445796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).