butyl 2-cyclopentyl-2-(methoxymethyl)-3-methylbutanoate

C16H30O3 — CID 23297171

IUPACbutyl 2-cyclopentyl-2-(methoxymethyl)-3-methylbutanoate
SMILESCCCCOC(=O)C(COC)(C(C)C)C1CCCC1
InChIInChI=1S/C16H30O3/c1-5-6-11-19-15(17)16(12-18-4,13(2)3)14-9-7-8-10-14/h13-14H,5-12H2,1-4H3
InChIKeyRATGRUPNGFHOPP-UHFFFAOYSA-N
MW270.41 g/mol
LogP3.81
Rot. Bonds8

About butyl 2-cyclopentyl-2-(methoxymethyl)-3-methylbutanoate

butyl 2-cyclopentyl-2-(methoxymethyl)-3-methylbutanoate (PubChem CID 23297171) has the molecular formula C16H30O3 and a molecular weight of 270.41 g/mol. Its IUPAC name is butyl 2-cyclopentyl-2-(methoxymethyl)-3-methylbutanoate.

Molecular Properties

Compound Namebutyl 2-cyclopentyl-2-(methoxymethyl)-3-methylbutanoate
PubChem CID23297171
Molecular FormulaC16H30O3
Molecular Weight270.41 g/mol
Exact Mass270.22
IUPAC Namebutyl 2-cyclopentyl-2-(methoxymethyl)-3-methylbutanoate
SMILESCCCCOC(=O)C(COC)(C(C)C)C1CCCC1
InChIInChI=1S/C16H30O3/c1-5-6-11-19-15(17)16(12-18-4,13(2)3)14-9-7-8-10-14/h13-14H,5-12H2,1-4H3
InChIKeyRATGRUPNGFHOPP-UHFFFAOYSA-N
XLogP3.81
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.41
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 2-cyclohexyl-2-(methoxymethyl)-3-methylbutanoate
CID 66831106
2-cyclopentyl-2-(methoxymethyl)-3-methylbutanoic acid
CID 23202697
3-butoxycarbonyl-3-cyclopentyl-2-ethylheptanoic acid
CID 70926011
3-butoxycarbonyl-3-cyclohexyl-2-propan-2-ylheptanoic acid
CID 70926069
dibutyl 2-butyl-2-propan-2-ylpropanedioate
CID 57179472
1-O-butyl 2-O-(2-methylpropyl) cyclohexane-1,2-dicarboxylate
CID 66983579
diethyl 2-cyclohexyl-3-methyl-2-(2-methylpropyl)butanedioate
CID 174616353
butyl 2-butyl-2-propan-2-ylhexanoate
CID 175170157
tributyl 2-amino-2-hydroxyethane-1,1,1-tricarboxylate
CID 141106294
tributyl 2-(cyclopentanecarbonyloxy)propane-1,2,3-tricarboxylate
CID 175190546
dipentyl 2-butyl-2-cyclopentylbutanedioate
CID 150556200
butyl (2R)-2-cyclopentyl-2-hydroxyacetate
CID 177105637

Frequently Asked Questions

What is the IUPAC name of butyl 2-cyclopentyl-2-(methoxymethyl)-3-methylbutanoate?
The IUPAC name of butyl 2-cyclopentyl-2-(methoxymethyl)-3-methylbutanoate (CID 23297171) is butyl 2-cyclopentyl-2-(methoxymethyl)-3-methylbutanoate.
What is the SMILES notation for butyl 2-cyclopentyl-2-(methoxymethyl)-3-methylbutanoate?
The canonical SMILES for butyl 2-cyclopentyl-2-(methoxymethyl)-3-methylbutanoate is CCCCOC(=O)C(COC)(C(C)C)C1CCCC1.
What is the InChIKey of butyl 2-cyclopentyl-2-(methoxymethyl)-3-methylbutanoate?
The InChIKey is RATGRUPNGFHOPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O3/c1-5-6-11-19-15(17)16(12-18-4,13(2)3)14-9-7-8-10-14/h13-14H,5-12H2,1-4H3.
What are the key properties of butyl 2-cyclopentyl-2-(methoxymethyl)-3-methylbutanoate?
butyl 2-cyclopentyl-2-(methoxymethyl)-3-methylbutanoate has a molecular weight of 270.41 g/mol, XLogP of 3.81, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-cyclopentyl-2-(methoxymethyl)-3-methylbutanoate is sourced from PubChem (CID 23297171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).