undec-10-enyl prop-2-enoate

C14H24O2 — CID 543354

IUPACundec-10-enyl prop-2-enoate
SMILESC=CCCCCCCCCCOC(=O)C=C
InChIInChI=1S/C14H24O2/c1-3-5-6-7-8-9-10-11-12-13-16-14(15)4-2/h3-4H,1-2,5-13H2
InChIKeyYXTYHLWOJXBERN-UHFFFAOYSA-N
MW224.34 g/mol
LogP4.02
Rot. Bonds11

About undec-10-enyl prop-2-enoate

undec-10-enyl prop-2-enoate (PubChem CID 543354) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is undec-10-enyl prop-2-enoate.

Molecular Properties

Compound Nameundec-10-enyl prop-2-enoate
PubChem CID543354
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Nameundec-10-enyl prop-2-enoate
SMILESC=CCCCCCCCCCOC(=O)C=C
InChIInChI=1S/C14H24O2/c1-3-5-6-7-8-9-10-11-12-13-16-14(15)4-2/h3-4H,1-2,5-13H2
InChIKeyYXTYHLWOJXBERN-UHFFFAOYSA-N
XLogP4.02
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Decyl acrylate
CID 16541
Allyl 10-undecenoate
CID 61412
1-Octen-3-yl acetate
CID 17121
Tridecyl acrylate
CID 18316
9-Decenyl acetate
CID 39801
10-Undecen-1-yl acetate
CID 61035
Octyl acrylate
CID 17258
Heptyl acrylate
CID 17257
Lauryl acrylate
CID 75084
1-Nonen-3-ol, 3-acetate
CID 169364
Stearyl acrylate
CID 62552
2-Propenoic acid, hexadecyl ester
CID 83410

Frequently Asked Questions

What is the IUPAC name of undec-10-enyl prop-2-enoate?
The IUPAC name of undec-10-enyl prop-2-enoate (CID 543354) is undec-10-enyl prop-2-enoate.
What is the SMILES notation for undec-10-enyl prop-2-enoate?
The canonical SMILES for undec-10-enyl prop-2-enoate is C=CCCCCCCCCCOC(=O)C=C.
What is the InChIKey of undec-10-enyl prop-2-enoate?
The InChIKey is YXTYHLWOJXBERN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-3-5-6-7-8-9-10-11-12-13-16-14(15)4-2/h3-4H,1-2,5-13H2.
What are the key properties of undec-10-enyl prop-2-enoate?
undec-10-enyl prop-2-enoate has a molecular weight of 224.34 g/mol, XLogP of 4.02, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for undec-10-enyl prop-2-enoate is sourced from PubChem (CID 543354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).