methyl (Z)-3-hydroxy-10-oxoundec-2-enoate

C12H20O4 — CID 134856110

IUPACmethyl (Z)-3-hydroxy-10-oxoundec-2-enoate
SMILESCOC(=O)/C=C(\O)CCCCCCC(C)=O
InChIInChI=1S/C12H20O4/c1-10(13)7-5-3-4-6-8-11(14)9-12(15)16-2/h9,14H,3-8H2,1-2H3/b11-9-
InChIKeyWYTFGXIZFDGLOX-LUAWRHEFSA-N
MW228.29 g/mol
LogP2.53
Rot. Bonds8

About methyl (Z)-3-hydroxy-10-oxoundec-2-enoate

methyl (Z)-3-hydroxy-10-oxoundec-2-enoate (PubChem CID 134856110) has the molecular formula C12H20O4 and a molecular weight of 228.29 g/mol. Its IUPAC name is methyl (Z)-3-hydroxy-10-oxoundec-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-3-hydroxy-10-oxoundec-2-enoate
PubChem CID134856110
Molecular FormulaC12H20O4
Molecular Weight228.29 g/mol
Exact Mass228.14
IUPAC Namemethyl (Z)-3-hydroxy-10-oxoundec-2-enoate
SMILESCOC(=O)/C=C(\O)CCCCCCC(C)=O
InChIInChI=1S/C12H20O4/c1-10(13)7-5-3-4-6-8-11(14)9-12(15)16-2/h9,14H,3-8H2,1-2H3/b11-9-
InChIKeyWYTFGXIZFDGLOX-LUAWRHEFSA-N
XLogP2.53
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

12(13)Ep-9-KODE
CID 5283007
9,10-Epoxy-13-oxo-11-octadecenoic acid
CID 5283017
Dimethyl 2-decenedioate
CID 5463644
Pantheric Acid C
CID 145721313
9-Oxo-11-(3-pentyloxiran-2-YL)undec-10-enoic acid
CID 53394018
Dimethyl decendioate
CID 523493
Dimethyl traumatate
CID 5362710
(Z)-3-hydroxydec-2-enedioic acid
CID 121232666
10-Methoxy-10-oxodec-2-enoic acid
CID 163011459
8-[3-(3-Oxooct-1-enyl)oxiran-2-yl]octanoic acid
CID 74218382
2-Dodecenedioic acid, dimethyl ester, (E)-
CID 534595
Methyl 2-hydroxycyclohept-1-ene-1-carboxylate
CID 68397339

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-3-hydroxy-10-oxoundec-2-enoate?
The IUPAC name of methyl (Z)-3-hydroxy-10-oxoundec-2-enoate (CID 134856110) is methyl (Z)-3-hydroxy-10-oxoundec-2-enoate.
What is the SMILES notation for methyl (Z)-3-hydroxy-10-oxoundec-2-enoate?
The canonical SMILES for methyl (Z)-3-hydroxy-10-oxoundec-2-enoate is COC(=O)/C=C(\O)CCCCCCC(C)=O.
What is the InChIKey of methyl (Z)-3-hydroxy-10-oxoundec-2-enoate?
The InChIKey is WYTFGXIZFDGLOX-LUAWRHEFSA-N. The full InChI is InChI=1S/C12H20O4/c1-10(13)7-5-3-4-6-8-11(14)9-12(15)16-2/h9,14H,3-8H2,1-2H3/b11-9-.
What are the key properties of methyl (Z)-3-hydroxy-10-oxoundec-2-enoate?
methyl (Z)-3-hydroxy-10-oxoundec-2-enoate has a molecular weight of 228.29 g/mol, XLogP of 2.53, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-3-hydroxy-10-oxoundec-2-enoate is sourced from PubChem (CID 134856110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).