butyl 4-cyclopentylbutanoate

C13H24O2 — CID 175866077

IUPACbutyl 4-cyclopentylbutanoate
SMILESCCCCOC(=O)CCCC1CCCC1
InChIInChI=1S/C13H24O2/c1-2-3-11-15-13(14)10-6-9-12-7-4-5-8-12/h12H,2-11H2,1H3
InChIKeyASPFCZFBOJXESH-UHFFFAOYSA-N
MW212.33 g/mol
LogP3.69
Rot. Bonds7

About butyl 4-cyclopentylbutanoate

butyl 4-cyclopentylbutanoate (PubChem CID 175866077) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is butyl 4-cyclopentylbutanoate.

Molecular Properties

Compound Namebutyl 4-cyclopentylbutanoate
PubChem CID175866077
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Namebutyl 4-cyclopentylbutanoate
SMILESCCCCOC(=O)CCCC1CCCC1
InChIInChI=1S/C13H24O2/c1-2-3-11-15-13(14)10-6-9-12-7-4-5-8-12/h12H,2-11H2,1H3
InChIKeyASPFCZFBOJXESH-UHFFFAOYSA-N
XLogP3.69
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-cycloheptylbutyl butanoate
CID 54174835
6-O-(2-cyclohexylethyl) 1-O-propyl hexanedioate
CID 91725827
13-cyclopropyltridecyl pentanoate
CID 54121613
2-cyclopentylethyl butanoate
CID 142409115
5-cyclopropylpentyl tetradecanoate
CID 21445891
9-cyclopropylnonyl hexanoate
CID 21445837
propyl 3-cyclopentylpropanoate
CID 43389546
4-cyclopropylbutyl 4-cyclopropylbutanoate
CID 22905862
butyl 3-(cyclohexylmethoxy)propanoate
CID 129141533
6-O-(cyclopentylmethyl) 1-O-pentadecyl hexanedioate
CID 91713281
3-(butylamino)propyl 3-cyclohexylpropanoate
CID 82532321
9-cyclopropylnonyl butanoate
CID 21445863

Frequently Asked Questions

What is the IUPAC name of butyl 4-cyclopentylbutanoate?
The IUPAC name of butyl 4-cyclopentylbutanoate (CID 175866077) is butyl 4-cyclopentylbutanoate.
What is the SMILES notation for butyl 4-cyclopentylbutanoate?
The canonical SMILES for butyl 4-cyclopentylbutanoate is CCCCOC(=O)CCCC1CCCC1.
What is the InChIKey of butyl 4-cyclopentylbutanoate?
The InChIKey is ASPFCZFBOJXESH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2/c1-2-3-11-15-13(14)10-6-9-12-7-4-5-8-12/h12H,2-11H2,1H3.
What are the key properties of butyl 4-cyclopentylbutanoate?
butyl 4-cyclopentylbutanoate has a molecular weight of 212.33 g/mol, XLogP of 3.69, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 4-cyclopentylbutanoate is sourced from PubChem (CID 175866077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).