(Z)-2-(bromomethyl)-8-methoxy-8-oxooct-2-enoic acid;yttrium

C10H15BrO4Y — CID 59245027

IUPAC(Z)-2-(bromomethyl)-8-methoxy-8-oxooct-2-enoic acid;yttrium
SMILESCOC(=O)CCCC/C=C(\CBr)C(=O)O.[Y]
InChIInChI=1S/C10H15BrO4.Y/c1-15-9(12)6-4-2-3-5-8(7-11)10(13)14;/h5H,2-4,6-7H2,1H3,(H,13,14);/b8-5+;
InChIKeyFWRVLZPKWUPBQH-HAAWTFQLSA-N
MW368.04 g/mol
LogP2.12
Rot. Bonds7

About (Z)-2-(bromomethyl)-8-methoxy-8-oxooct-2-enoic acid;yttrium

(Z)-2-(bromomethyl)-8-methoxy-8-oxooct-2-enoic acid;yttrium (PubChem CID 59245027) has the molecular formula C10H15BrO4Y and a molecular weight of 368.04 g/mol. Its IUPAC name is (Z)-2-(bromomethyl)-8-methoxy-8-oxooct-2-enoic acid;yttrium.

Molecular Properties

Compound Name(Z)-2-(bromomethyl)-8-methoxy-8-oxooct-2-enoic acid;yttrium
PubChem CID59245027
Molecular FormulaC10H15BrO4Y
Molecular Weight368.04 g/mol
Exact Mass366.92
IUPAC Name(Z)-2-(bromomethyl)-8-methoxy-8-oxooct-2-enoic acid;yttrium
SMILESCOC(=O)CCCC/C=C(\CBr)C(=O)O.[Y]
InChIInChI=1S/C10H15BrO4.Y/c1-15-9(12)6-4-2-3-5-8(7-11)10(13)14;/h5H,2-4,6-7H2,1H3,(H,13,14);/b8-5+;
InChIKeyFWRVLZPKWUPBQH-HAAWTFQLSA-N
XLogP2.12
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.04
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 13-methyltetradec-12-enoate
CID 24973726
dimethyl (E)-triacont-15-enedioate
CID 10767955
methyl 20-bromoicosanoate
CID 155895697
methyl (Z)-10-chloro-10-fluorodec-9-enoate
CID 162624096
methyl 13-oxotridecanoate
CID 10331995
methyl 10-oxodecanoate
CID 519005
dimethyl tricosanedioate
CID 12632762
dimethyl hexanedioate;λ2-stannane
CID 173290075
dimethyl dotriacontanedioate
CID 14325565
bis(dimethyl decanedioate);dimethyl hexanedioate
CID 90703426
dimethyl hexanedioate;stannane
CID 173290076
(Z)-16-methoxy-16-oxohexadec-7-enoic acid
CID 156891963

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(bromomethyl)-8-methoxy-8-oxooct-2-enoic acid;yttrium?
The IUPAC name of (Z)-2-(bromomethyl)-8-methoxy-8-oxooct-2-enoic acid;yttrium (CID 59245027) is (Z)-2-(bromomethyl)-8-methoxy-8-oxooct-2-enoic acid;yttrium.
What is the SMILES notation for (Z)-2-(bromomethyl)-8-methoxy-8-oxooct-2-enoic acid;yttrium?
The canonical SMILES for (Z)-2-(bromomethyl)-8-methoxy-8-oxooct-2-enoic acid;yttrium is COC(=O)CCCC/C=C(\CBr)C(=O)O.[Y].
What is the InChIKey of (Z)-2-(bromomethyl)-8-methoxy-8-oxooct-2-enoic acid;yttrium?
The InChIKey is FWRVLZPKWUPBQH-HAAWTFQLSA-N. The full InChI is InChI=1S/C10H15BrO4.Y/c1-15-9(12)6-4-2-3-5-8(7-11)10(13)14;/h5H,2-4,6-7H2,1H3,(H,13,14);/b8-5+;.
What are the key properties of (Z)-2-(bromomethyl)-8-methoxy-8-oxooct-2-enoic acid;yttrium?
(Z)-2-(bromomethyl)-8-methoxy-8-oxooct-2-enoic acid;yttrium has a molecular weight of 368.04 g/mol, XLogP of 2.12, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(bromomethyl)-8-methoxy-8-oxooct-2-enoic acid;yttrium is sourced from PubChem (CID 59245027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).