[1-(5-methylhexyl)cyclopropyl]methyl prop-2-enoate

C14H24O2 — CID 141276054

IUPAC[1-(5-methylhexyl)cyclopropyl]methyl prop-2-enoate
SMILESC=CC(=O)OCC1(CCCCC(C)C)CC1
InChIInChI=1S/C14H24O2/c1-4-13(15)16-11-14(9-10-14)8-6-5-7-12(2)3/h4,12H,1,5-11H2,2-3H3
InChIKeyLXDUYPVJYPDGEN-UHFFFAOYSA-N
MW224.34 g/mol
LogP3.71
Rot. Bonds8

About [1-(5-methylhexyl)cyclopropyl]methyl prop-2-enoate

[1-(5-methylhexyl)cyclopropyl]methyl prop-2-enoate (PubChem CID 141276054) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is [1-(5-methylhexyl)cyclopropyl]methyl prop-2-enoate.

Molecular Properties

Compound Name[1-(5-methylhexyl)cyclopropyl]methyl prop-2-enoate
PubChem CID141276054
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name[1-(5-methylhexyl)cyclopropyl]methyl prop-2-enoate
SMILESC=CC(=O)OCC1(CCCCC(C)C)CC1
InChIInChI=1S/C14H24O2/c1-4-13(15)16-11-14(9-10-14)8-6-5-7-12(2)3/h4,12H,1,5-11H2,2-3H3
InChIKeyLXDUYPVJYPDGEN-UHFFFAOYSA-N
XLogP3.71
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.71
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-(6-methylheptyl)cyclohexyl]methyl prop-2-enoate
CID 141276062
(1-pentylcyclobutyl)methyl prop-2-enoate
CID 141276106
(1-heptylcyclooctyl)methyl prop-2-enoate
CID 141276074
6-methylheptyl prop-2-enoate;oxirane
CID 159134071
6-methylheptyl prop-2-enoate;prop-2-enamide
CID 6452299
(3-butyloxetan-3-yl)methyl prop-2-enoate
CID 23067252
2-[bis(4-methylpentyl)amino]ethyl prop-2-enoate
CID 54081174
(Z)-but-2-enedioic acid;6-methylheptyl prop-2-enoate
CID 174829872
isocyanic acid;6-methylheptyl prop-2-enoate
CID 175511930
[3-(prop-2-enoyloxymethyl)oxetan-3-yl]methyl prop-2-enoate
CID 172769604
sulfanyl 8-methyl-2-prop-2-enoyloxynonanoate
CID 174607427
dodecanoic acid;6-methylheptyl prop-2-enoate
CID 174662235

Frequently Asked Questions

What is the IUPAC name of [1-(5-methylhexyl)cyclopropyl]methyl prop-2-enoate?
The IUPAC name of [1-(5-methylhexyl)cyclopropyl]methyl prop-2-enoate (CID 141276054) is [1-(5-methylhexyl)cyclopropyl]methyl prop-2-enoate.
What is the SMILES notation for [1-(5-methylhexyl)cyclopropyl]methyl prop-2-enoate?
The canonical SMILES for [1-(5-methylhexyl)cyclopropyl]methyl prop-2-enoate is C=CC(=O)OCC1(CCCCC(C)C)CC1.
What is the InChIKey of [1-(5-methylhexyl)cyclopropyl]methyl prop-2-enoate?
The InChIKey is LXDUYPVJYPDGEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-4-13(15)16-11-14(9-10-14)8-6-5-7-12(2)3/h4,12H,1,5-11H2,2-3H3.
What are the key properties of [1-(5-methylhexyl)cyclopropyl]methyl prop-2-enoate?
[1-(5-methylhexyl)cyclopropyl]methyl prop-2-enoate has a molecular weight of 224.34 g/mol, XLogP of 3.71, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-methylhexyl)cyclopropyl]methyl prop-2-enoate is sourced from PubChem (CID 141276054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).