(Z)-12-(dimethylamino)-12-oxododec-5-enoic acid

C14H25NO3 — CID 88975040

IUPAC(Z)-12-(dimethylamino)-12-oxododec-5-enoic acid
SMILESCN(C)C(=O)CCCCC/C=C\CCCC(=O)O
InChIInChI=1S/C14H25NO3/c1-15(2)13(16)11-9-7-5-3-4-6-8-10-12-14(17)18/h4,6H,3,5,7-12H2,1-2H3,(H,17,18)/b6-4-
InChIKeyJERJHHBOFLSXJX-XQRVVYSFSA-N
MW255.36 g/mol
LogP2.84
Rot. Bonds10

About (Z)-12-(dimethylamino)-12-oxododec-5-enoic acid

(Z)-12-(dimethylamino)-12-oxododec-5-enoic acid (PubChem CID 88975040) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is (Z)-12-(dimethylamino)-12-oxododec-5-enoic acid.

Molecular Properties

Compound Name(Z)-12-(dimethylamino)-12-oxododec-5-enoic acid
PubChem CID88975040
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name(Z)-12-(dimethylamino)-12-oxododec-5-enoic acid
SMILESCN(C)C(=O)CCCCC/C=C\CCCC(=O)O
InChIInChI=1S/C14H25NO3/c1-15(2)13(16)11-9-7-5-3-4-6-8-10-12-14(17)18/h4,6H,3,5,7-12H2,1-2H3,(H,17,18)/b6-4-
InChIKeyJERJHHBOFLSXJX-XQRVVYSFSA-N
XLogP2.84
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-12-(dimethylamino)-12-oxododec-5-enoic acid?
The IUPAC name of (Z)-12-(dimethylamino)-12-oxododec-5-enoic acid (CID 88975040) is (Z)-12-(dimethylamino)-12-oxododec-5-enoic acid.
What is the SMILES notation for (Z)-12-(dimethylamino)-12-oxododec-5-enoic acid?
The canonical SMILES for (Z)-12-(dimethylamino)-12-oxododec-5-enoic acid is CN(C)C(=O)CCCCC/C=C\CCCC(=O)O.
What is the InChIKey of (Z)-12-(dimethylamino)-12-oxododec-5-enoic acid?
The InChIKey is JERJHHBOFLSXJX-XQRVVYSFSA-N. The full InChI is InChI=1S/C14H25NO3/c1-15(2)13(16)11-9-7-5-3-4-6-8-10-12-14(17)18/h4,6H,3,5,7-12H2,1-2H3,(H,17,18)/b6-4-.
What are the key properties of (Z)-12-(dimethylamino)-12-oxododec-5-enoic acid?
(Z)-12-(dimethylamino)-12-oxododec-5-enoic acid has a molecular weight of 255.36 g/mol, XLogP of 2.84, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-12-(dimethylamino)-12-oxododec-5-enoic acid is sourced from PubChem (CID 88975040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).