cyclopentylmethoxymethyl 2-methylbutanoate

C12H22O3 — CID 59189145

IUPACcyclopentylmethoxymethyl 2-methylbutanoate
SMILESCCC(C)C(=O)OCOCC1CCCC1
InChIInChI=1S/C12H22O3/c1-3-10(2)12(13)15-9-14-8-11-6-4-5-7-11/h10-11H,3-9H2,1-2H3
InChIKeyMNTCKLQXVOALLQ-UHFFFAOYSA-N
MW214.30 g/mol
LogP2.74
Rot. Bonds6

About cyclopentylmethoxymethyl 2-methylbutanoate

cyclopentylmethoxymethyl 2-methylbutanoate (PubChem CID 59189145) has the molecular formula C12H22O3 and a molecular weight of 214.30 g/mol. Its IUPAC name is cyclopentylmethoxymethyl 2-methylbutanoate.

Molecular Properties

Compound Namecyclopentylmethoxymethyl 2-methylbutanoate
PubChem CID59189145
Molecular FormulaC12H22O3
Molecular Weight214.30 g/mol
Exact Mass214.16
IUPAC Namecyclopentylmethoxymethyl 2-methylbutanoate
SMILESCCC(C)C(=O)OCOCC1CCCC1
InChIInChI=1S/C12H22O3/c1-3-10(2)12(13)15-9-14-8-11-6-4-5-7-11/h10-11H,3-9H2,1-2H3
InChIKeyMNTCKLQXVOALLQ-UHFFFAOYSA-N
XLogP2.74
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.30
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

cycloheptyloxymethyl 2,2-dimethylbutanoate;cycloheptyloxymethyl 2-methylbutanoate;cycloheptyloxymethyl 2-methyl-2-(trifluoromethyl)butanoate;cyclohexylmethoxymethyl 2,2-dimethylbutanoate;cyclohexyloxymethyl 2-methyl-2-(trifluoromethyl)butanoate;cyclopentylmethoxymethyl 2,2-dimethylbutanoate;cyclopentyloxymethyl 2-methyl-2-(trifluoromethyl)butanoate;methane
CID 157260103
2-methylbutanoyloxymethyl 2-methylbutanoate
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2-(2-methylbutanoyloxy)ethyl cyclohexanecarboxylate
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CID 62384132

Frequently Asked Questions

What is the IUPAC name of cyclopentylmethoxymethyl 2-methylbutanoate?
The IUPAC name of cyclopentylmethoxymethyl 2-methylbutanoate (CID 59189145) is cyclopentylmethoxymethyl 2-methylbutanoate.
What is the SMILES notation for cyclopentylmethoxymethyl 2-methylbutanoate?
The canonical SMILES for cyclopentylmethoxymethyl 2-methylbutanoate is CCC(C)C(=O)OCOCC1CCCC1.
What is the InChIKey of cyclopentylmethoxymethyl 2-methylbutanoate?
The InChIKey is MNTCKLQXVOALLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O3/c1-3-10(2)12(13)15-9-14-8-11-6-4-5-7-11/h10-11H,3-9H2,1-2H3.
What are the key properties of cyclopentylmethoxymethyl 2-methylbutanoate?
cyclopentylmethoxymethyl 2-methylbutanoate has a molecular weight of 214.30 g/mol, XLogP of 2.74, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentylmethoxymethyl 2-methylbutanoate is sourced from PubChem (CID 59189145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).