(Z)-2-methyl-3-tetradecylbut-2-enedioate

C19H32O4-2 — CID 16760069

IUPAC(Z)-2-methyl-3-tetradecylbut-2-enedioate
SMILESCCCCCCCCCCCCCC/C(C(=O)[O-])=C(\C)C(=O)[O-]
InChIInChI=1S/C19H34O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-17(19(22)23)16(2)18(20)21/h3-15H2,1-2H3,(H,20,21)(H,22,23)/p-2/b17-16-
InChIKeyULSDRNDLXFVDED-MSUUIHNZSA-L
MW324.46 g/mol
LogP2.89
Rot. Bonds15

About (Z)-2-methyl-3-tetradecylbut-2-enedioate

(Z)-2-methyl-3-tetradecylbut-2-enedioate (PubChem CID 16760069) has the molecular formula C19H32O4-2 and a molecular weight of 324.46 g/mol. Its IUPAC name is (Z)-2-methyl-3-tetradecylbut-2-enedioate.

Molecular Properties

Compound Name(Z)-2-methyl-3-tetradecylbut-2-enedioate
PubChem CID16760069
Molecular FormulaC19H32O4-2
Molecular Weight324.46 g/mol
Exact Mass324.23
IUPAC Name(Z)-2-methyl-3-tetradecylbut-2-enedioate
SMILESCCCCCCCCCCCCCC/C(C(=O)[O-])=C(\C)C(=O)[O-]
InChIInChI=1S/C19H34O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-17(19(22)23)16(2)18(20)21/h3-15H2,1-2H3,(H,20,21)(H,22,23)/p-2/b17-16-
InChIKeyULSDRNDLXFVDED-MSUUIHNZSA-L
XLogP2.89
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.46
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-methyl-3-tetradecylbut-2-enedioate?
The IUPAC name of (Z)-2-methyl-3-tetradecylbut-2-enedioate (CID 16760069) is (Z)-2-methyl-3-tetradecylbut-2-enedioate.
What is the SMILES notation for (Z)-2-methyl-3-tetradecylbut-2-enedioate?
The canonical SMILES for (Z)-2-methyl-3-tetradecylbut-2-enedioate is CCCCCCCCCCCCCC/C(C(=O)[O-])=C(\C)C(=O)[O-].
What is the InChIKey of (Z)-2-methyl-3-tetradecylbut-2-enedioate?
The InChIKey is ULSDRNDLXFVDED-MSUUIHNZSA-L. The full InChI is InChI=1S/C19H34O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-17(19(22)23)16(2)18(20)21/h3-15H2,1-2H3,(H,20,21)(H,22,23)/p-2/b17-16-.
What are the key properties of (Z)-2-methyl-3-tetradecylbut-2-enedioate?
(Z)-2-methyl-3-tetradecylbut-2-enedioate has a molecular weight of 324.46 g/mol, XLogP of 2.89, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-methyl-3-tetradecylbut-2-enedioate is sourced from PubChem (CID 16760069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).