4-cyclopropylbutyl 4-cyclopropylbutanoate

C14H24O2 — CID 22905862

IUPAC4-cyclopropylbutyl 4-cyclopropylbutanoate
SMILESO=C(CCCC1CC1)OCCCCC1CC1
InChIInChI=1S/C14H24O2/c15-14(6-3-5-13-9-10-13)16-11-2-1-4-12-7-8-12/h12-13H,1-11H2
InChIKeyOTRDGARPYHJOPZ-UHFFFAOYSA-N
MW224.34 g/mol
LogP3.69
Rot. Bonds9

About 4-cyclopropylbutyl 4-cyclopropylbutanoate

4-cyclopropylbutyl 4-cyclopropylbutanoate (PubChem CID 22905862) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is 4-cyclopropylbutyl 4-cyclopropylbutanoate.

Molecular Properties

Compound Name4-cyclopropylbutyl 4-cyclopropylbutanoate
PubChem CID22905862
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name4-cyclopropylbutyl 4-cyclopropylbutanoate
SMILESO=C(CCCC1CC1)OCCCCC1CC1
InChIInChI=1S/C14H24O2/c15-14(6-3-5-13-9-10-13)16-11-2-1-4-12-7-8-12/h12-13H,1-11H2
InChIKeyOTRDGARPYHJOPZ-UHFFFAOYSA-N
XLogP3.69
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
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

13-cyclopropyltridecyl pentanoate
CID 54121613
5-cyclopropylpentyl tetradecanoate
CID 21445891
9-cyclopropylnonyl hexanoate
CID 21445837
9-cyclopropylnonyl butanoate
CID 21445863
butyl 4-cyclopentylbutanoate
CID 175866077
4-cycloheptylbutyl butanoate
CID 54174835
7-cyclopropylheptyl (Z)-dodec-7-enoate
CID 70636355
2-cyclopropylethyl 4-(methylamino)butanoate
CID 106202653
2-aminoethyl 3-cyclopropylpropanoate
CID 174465831
3-cyclopropylpropyl (Z)-octadec-9-enoate
CID 175440154
4-cyclohexylbutyl 4-iminobutanoate
CID 144709601
4-(oxan-4-yl)butyl propanoate
CID 142409107

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropylbutyl 4-cyclopropylbutanoate?
The IUPAC name of 4-cyclopropylbutyl 4-cyclopropylbutanoate (CID 22905862) is 4-cyclopropylbutyl 4-cyclopropylbutanoate.
What is the SMILES notation for 4-cyclopropylbutyl 4-cyclopropylbutanoate?
The canonical SMILES for 4-cyclopropylbutyl 4-cyclopropylbutanoate is O=C(CCCC1CC1)OCCCCC1CC1.
What is the InChIKey of 4-cyclopropylbutyl 4-cyclopropylbutanoate?
The InChIKey is OTRDGARPYHJOPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c15-14(6-3-5-13-9-10-13)16-11-2-1-4-12-7-8-12/h12-13H,1-11H2.
What are the key properties of 4-cyclopropylbutyl 4-cyclopropylbutanoate?
4-cyclopropylbutyl 4-cyclopropylbutanoate has a molecular weight of 224.34 g/mol, XLogP of 3.69, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropylbutyl 4-cyclopropylbutanoate is sourced from PubChem (CID 22905862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).