(1-pentylcyclobutyl)methyl prop-2-enoate

C13H22O2 — CID 141276106

IUPAC(1-pentylcyclobutyl)methyl prop-2-enoate
SMILESC=CC(=O)OCC1(CCCCC)CCC1
InChIInChI=1S/C13H22O2/c1-3-5-6-8-13(9-7-10-13)11-15-12(14)4-2/h4H,2-3,5-11H2,1H3
InChIKeyHJYXQOOJJCDANC-UHFFFAOYSA-N
MW210.32 g/mol
LogP3.47
Rot. Bonds7

About (1-pentylcyclobutyl)methyl prop-2-enoate

(1-pentylcyclobutyl)methyl prop-2-enoate (PubChem CID 141276106) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is (1-pentylcyclobutyl)methyl prop-2-enoate.

Molecular Properties

Compound Name(1-pentylcyclobutyl)methyl prop-2-enoate
PubChem CID141276106
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name(1-pentylcyclobutyl)methyl prop-2-enoate
SMILESC=CC(=O)OCC1(CCCCC)CCC1
InChIInChI=1S/C13H22O2/c1-3-5-6-8-13(9-7-10-13)11-15-12(14)4-2/h4H,2-3,5-11H2,1H3
InChIKeyHJYXQOOJJCDANC-UHFFFAOYSA-N
XLogP3.47
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(1-heptylcyclooctyl)methyl prop-2-enoate
CID 141276074
[1-(6-methylheptyl)cyclohexyl]methyl prop-2-enoate
CID 141276062
(3-butyloxetan-3-yl)methyl prop-2-enoate
CID 23067252
[1-(5-methylhexyl)cyclopropyl]methyl prop-2-enoate
CID 141276054
(1-methyl-4-pentyl-4-propylcyclohexyl) prop-2-enoate
CID 145215456
2-[4-butyl-1-(2-prop-2-enoyloxyethyl)cyclohexyl]ethyl prop-2-enoate
CID 129143051
heptadecyl prop-2-enoate;hexadecyl prop-2-enoate;octadecyl prop-2-enoate;pentadecyl prop-2-enoate;tetradecyl prop-2-enoate;tridecyl prop-2-enoate
CID 159575283
docosyl prop-2-enoate;henicosyl prop-2-enoate;tetracosyl prop-2-enoate;tricosyl prop-2-enoate
CID 161245650
pentatriacontyl prop-2-enoate
CID 141309454
hexyl prop-2-enoate
CID 17259
heptadecyl prop-2-enoate;hexadecyl prop-2-enoate;octadecyl prop-2-enoate;pentadecyl prop-2-enoate;tetradecyl prop-2-enoate
CID 159699669
docosyl prop-2-enoate;henicosyl prop-2-enoate;icosyl prop-2-enoate;tetracosyl prop-2-enoate;tricosyl prop-2-enoate
CID 159127322

Frequently Asked Questions

What is the IUPAC name of (1-pentylcyclobutyl)methyl prop-2-enoate?
The IUPAC name of (1-pentylcyclobutyl)methyl prop-2-enoate (CID 141276106) is (1-pentylcyclobutyl)methyl prop-2-enoate.
What is the SMILES notation for (1-pentylcyclobutyl)methyl prop-2-enoate?
The canonical SMILES for (1-pentylcyclobutyl)methyl prop-2-enoate is C=CC(=O)OCC1(CCCCC)CCC1.
What is the InChIKey of (1-pentylcyclobutyl)methyl prop-2-enoate?
The InChIKey is HJYXQOOJJCDANC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2/c1-3-5-6-8-13(9-7-10-13)11-15-12(14)4-2/h4H,2-3,5-11H2,1H3.
What are the key properties of (1-pentylcyclobutyl)methyl prop-2-enoate?
(1-pentylcyclobutyl)methyl prop-2-enoate has a molecular weight of 210.32 g/mol, XLogP of 3.47, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-pentylcyclobutyl)methyl prop-2-enoate is sourced from PubChem (CID 141276106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).