cyclopentylmethyl 2-methylpropanoate

C10H18O2 — CID 21063892

IUPACcyclopentylmethyl 2-methylpropanoate
SMILESCC(C)C(=O)OCC1CCCC1
InChIInChI=1S/C10H18O2/c1-8(2)10(11)12-7-9-5-3-4-6-9/h8-9H,3-7H2,1-2H3
InChIKeyJLFJKDLFRJFPOX-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.38
Rot. Bonds3

About cyclopentylmethyl 2-methylpropanoate

cyclopentylmethyl 2-methylpropanoate (PubChem CID 21063892) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is cyclopentylmethyl 2-methylpropanoate.

Molecular Properties

Compound Namecyclopentylmethyl 2-methylpropanoate
PubChem CID21063892
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Namecyclopentylmethyl 2-methylpropanoate
SMILESCC(C)C(=O)OCC1CCCC1
InChIInChI=1S/C10H18O2/c1-8(2)10(11)12-7-9-5-3-4-6-9/h8-9H,3-7H2,1-2H3
InChIKeyJLFJKDLFRJFPOX-UHFFFAOYSA-N
XLogP2.38
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

bis(cyclopentylmethyl) 2-methylpropanedioate
CID 174545990
1-O-(cyclopentylmethyl) 3-O-methyl 2-methylpropanedioate
CID 174748990
cyclohexylmethyl 2-amino-3-methylbutanoate
CID 62383261
(4-propylcyclohexyl)methyl 2-methylpropanoate
CID 175906302
(4-methylidenecyclohexyl)methyl 2-methylpropanoate
CID 147453211
cyclohexylmethyl 2-amino-2-cyclohexylacetate
CID 62383818
cyclopentylmethyl 2-aminobutanoate
CID 66322645
cyclopentylmethyl 2-amino-3,3-dimethylbutanoate
CID 66321580
1-O-(cyclopentylmethyl) 3-O-ethyl 2-ethylpropanedioate
CID 174749024
cyclohexylmethyl 2-iodobutanoate
CID 137452878
cyclopentylmethyl (2S)-2-aminopentanoate
CID 107565785
(2-cyclohexylacetyl)oxymethyl 2-methylpropanoate
CID 121486100

Frequently Asked Questions

What is the IUPAC name of cyclopentylmethyl 2-methylpropanoate?
The IUPAC name of cyclopentylmethyl 2-methylpropanoate (CID 21063892) is cyclopentylmethyl 2-methylpropanoate.
What is the SMILES notation for cyclopentylmethyl 2-methylpropanoate?
The canonical SMILES for cyclopentylmethyl 2-methylpropanoate is CC(C)C(=O)OCC1CCCC1.
What is the InChIKey of cyclopentylmethyl 2-methylpropanoate?
The InChIKey is JLFJKDLFRJFPOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-8(2)10(11)12-7-9-5-3-4-6-9/h8-9H,3-7H2,1-2H3.
What are the key properties of cyclopentylmethyl 2-methylpropanoate?
cyclopentylmethyl 2-methylpropanoate has a molecular weight of 170.25 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentylmethyl 2-methylpropanoate is sourced from PubChem (CID 21063892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).