2-hydroxyethyl 12-oxododec-6-enoate

C14H24O4 — CID 57104465

IUPAC2-hydroxyethyl 12-oxododec-6-enoate
SMILESO=CCCCCC=CCCCCC(=O)OCCO
InChIInChI=1S/C14H24O4/c15-11-9-7-5-3-1-2-4-6-8-10-14(17)18-13-12-16/h1-2,11,16H,3-10,12-13H2
InChIKeySOOBXCDHWKMPLO-UHFFFAOYSA-N
MW256.34 g/mol
LogP2.40
Rot. Bonds12

About 2-hydroxyethyl 12-oxododec-6-enoate

2-hydroxyethyl 12-oxododec-6-enoate (PubChem CID 57104465) has the molecular formula C14H24O4 and a molecular weight of 256.34 g/mol. Its IUPAC name is 2-hydroxyethyl 12-oxododec-6-enoate.

Molecular Properties

Compound Name2-hydroxyethyl 12-oxododec-6-enoate
PubChem CID57104465
Molecular FormulaC14H24O4
Molecular Weight256.34 g/mol
Exact Mass256.17
IUPAC Name2-hydroxyethyl 12-oxododec-6-enoate
SMILESO=CCCCCC=CCCCCC(=O)OCCO
InChIInChI=1S/C14H24O4/c15-11-9-7-5-3-1-2-4-6-8-10-14(17)18-13-12-16/h1-2,11,16H,3-10,12-13H2
InChIKeySOOBXCDHWKMPLO-UHFFFAOYSA-N
XLogP2.40
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxyethyl (Z)-undec-9-enoate
CID 89085780
ethene;2-hydroxyethyl (Z)-octadec-9-enoate
CID 173424780
2-hydroxyethyl (9Z,12Z,15Z)-octadeca-9,12,15-trienoate
CID 87552666
bis(2-hydroxyethyl) heptanedioate
CID 58519890
bis(2-hydroxyethyl) decanedioate
CID 14094566
2-hydroxyethyl octadec-9-enoate;phosphoric acid
CID 170851816
2-hydroxyethyl dec-9-enoate
CID 87084822
[(9Z,17Z)-24-(3-hydroxypropanoyloxy)tetracosa-9,17-dienyl] 3-hydroxypropanoate
CID 5471233
propan-1-ol;propyl octadec-9-enoate
CID 173390111
2-[2-(2-hydroxyethoxy)ethoxy]ethyl (E)-octadec-9-enoate
CID 22179243
bis(2-methoxyethyl) octadec-9-enedioate
CID 123139794
27-hydroxyheptacosyl icos-11-enoate
CID 170564361

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl 12-oxododec-6-enoate?
The IUPAC name of 2-hydroxyethyl 12-oxododec-6-enoate (CID 57104465) is 2-hydroxyethyl 12-oxododec-6-enoate.
What is the SMILES notation for 2-hydroxyethyl 12-oxododec-6-enoate?
The canonical SMILES for 2-hydroxyethyl 12-oxododec-6-enoate is O=CCCCCC=CCCCCC(=O)OCCO.
What is the InChIKey of 2-hydroxyethyl 12-oxododec-6-enoate?
The InChIKey is SOOBXCDHWKMPLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O4/c15-11-9-7-5-3-1-2-4-6-8-10-14(17)18-13-12-16/h1-2,11,16H,3-10,12-13H2.
What are the key properties of 2-hydroxyethyl 12-oxododec-6-enoate?
2-hydroxyethyl 12-oxododec-6-enoate has a molecular weight of 256.34 g/mol, XLogP of 2.40, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl 12-oxododec-6-enoate is sourced from PubChem (CID 57104465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).