azane;octyl prop-2-enoate

C11H23NO2 — CID 175482602

IUPACazane;octyl prop-2-enoate
SMILESC=CC(=O)OCCCCCCCC.N
InChIInChI=1S/C11H20O2.H3N/c1-3-5-6-7-8-9-10-13-11(12)4-2;/h4H,2-3,5-10H2,1H3;1H3
InChIKeyUSXYRBBSNFAUOH-UHFFFAOYSA-N
MW201.31 g/mol
LogP3.24
Rot. Bonds8

About azane;octyl prop-2-enoate

azane;octyl prop-2-enoate (PubChem CID 175482602) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is azane;octyl prop-2-enoate.

Molecular Properties

Compound Nameazane;octyl prop-2-enoate
PubChem CID175482602
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Nameazane;octyl prop-2-enoate
SMILESC=CC(=O)OCCCCCCCC.N
InChIInChI=1S/C11H20O2.H3N/c1-3-5-6-7-8-9-10-13-11(12)4-2;/h4H,2-3,5-10H2,1H3;1H3
InChIKeyUSXYRBBSNFAUOH-UHFFFAOYSA-N
XLogP3.24
TPSA61.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

pentatriacontyl prop-2-enoate
CID 141309454
docosyl prop-2-enoate;henicosyl prop-2-enoate;tetracosyl prop-2-enoate;tricosyl prop-2-enoate
CID 161245650
hexyl prop-2-enoate
CID 17259
docosyl prop-2-enoate;henicosyl prop-2-enoate;icosyl prop-2-enoate;tetracosyl prop-2-enoate;tricosyl prop-2-enoate
CID 159127322
heptadecyl prop-2-enoate;hexadecyl prop-2-enoate;octadecyl prop-2-enoate;pentadecyl prop-2-enoate;tetradecyl prop-2-enoate
CID 159699669
decyl prop-2-enoate
CID 162172023
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
hexadecyl prop-2-enoate;hydrofluoride
CID 159337716
octyl prop-2-enoate;prop-2-enoic acid
CID 87340168
chloroethene;octyl prop-2-enoate
CID 87386135
5-hexoxypentyl prop-2-enoate
CID 141336215
ethane-1,2-diol;hexyl prop-2-enoate
CID 87769837

Frequently Asked Questions

What is the IUPAC name of azane;octyl prop-2-enoate?
The IUPAC name of azane;octyl prop-2-enoate (CID 175482602) is azane;octyl prop-2-enoate.
What is the SMILES notation for azane;octyl prop-2-enoate?
The canonical SMILES for azane;octyl prop-2-enoate is C=CC(=O)OCCCCCCCC.N.
What is the InChIKey of azane;octyl prop-2-enoate?
The InChIKey is USXYRBBSNFAUOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2.H3N/c1-3-5-6-7-8-9-10-13-11(12)4-2;/h4H,2-3,5-10H2,1H3;1H3.
What are the key properties of azane;octyl prop-2-enoate?
azane;octyl prop-2-enoate has a molecular weight of 201.31 g/mol, XLogP of 3.24, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;octyl prop-2-enoate is sourced from PubChem (CID 175482602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).