(Z)-2-methyl-3-non-8-enylbut-2-enedioic acid

C14H22O4 — CID 71719769

IUPAC(Z)-2-methyl-3-non-8-enylbut-2-enedioic acid
SMILESC=CCCCCCCC/C(C(=O)O)=C(\C)C(=O)O
InChIInChI=1S/C14H22O4/c1-3-4-5-6-7-8-9-10-12(14(17)18)11(2)13(15)16/h3H,1,4-10H2,2H3,(H,15,16)(H,17,18)/b12-11-
InChIKeyGXVRICINRLHMKJ-QXMHVHEDSA-N
MW254.33 g/mol
LogP3.39
Rot. Bonds10

About (Z)-2-methyl-3-non-8-enylbut-2-enedioic acid

(Z)-2-methyl-3-non-8-enylbut-2-enedioic acid (PubChem CID 71719769) has the molecular formula C14H22O4 and a molecular weight of 254.33 g/mol. Its IUPAC name is (Z)-2-methyl-3-non-8-enylbut-2-enedioic acid.

Molecular Properties

Compound Name(Z)-2-methyl-3-non-8-enylbut-2-enedioic acid
PubChem CID71719769
Molecular FormulaC14H22O4
Molecular Weight254.33 g/mol
Exact Mass254.15
IUPAC Name(Z)-2-methyl-3-non-8-enylbut-2-enedioic acid
SMILESC=CCCCCCCC/C(C(=O)O)=C(\C)C(=O)O
InChIInChI=1S/C14H22O4/c1-3-4-5-6-7-8-9-10-12(14(17)18)11(2)13(15)16/h3H,1,4-10H2,2H3,(H,15,16)(H,17,18)/b12-11-
InChIKeyGXVRICINRLHMKJ-QXMHVHEDSA-N
XLogP3.39
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-2-methyl-3-undecylbut-2-enedioic acid
CID 142696116
2-(5-fluoropentyl)-3-methylbut-2-enedioic acid
CID 123689432
octadec-17-enoic acid
CID 5312444
tritriacont-32-enoic acid
CID 54063641
nonadec-18-enoic acid
CID 543857
hept-6-enoic acid;undec-10-enoic acid
CID 87675195
acetic acid;octadec-1-ene;zinc
CID 175392389
3-methylpentadeca-2,14-dienoic acid
CID 54228685
(Z)-2-butyl-3-methylbut-2-enedioic acid
CID 19039252
tricosa-1,22-dien-12-one
CID 86210796
alumane;undec-10-enoic acid;hydrochloride
CID 175378056
acetic acid;oct-1-ene
CID 159976970

Frequently Asked Questions

What is the IUPAC name of (Z)-2-methyl-3-non-8-enylbut-2-enedioic acid?
The IUPAC name of (Z)-2-methyl-3-non-8-enylbut-2-enedioic acid (CID 71719769) is (Z)-2-methyl-3-non-8-enylbut-2-enedioic acid.
What is the SMILES notation for (Z)-2-methyl-3-non-8-enylbut-2-enedioic acid?
The canonical SMILES for (Z)-2-methyl-3-non-8-enylbut-2-enedioic acid is C=CCCCCCCC/C(C(=O)O)=C(\C)C(=O)O.
What is the InChIKey of (Z)-2-methyl-3-non-8-enylbut-2-enedioic acid?
The InChIKey is GXVRICINRLHMKJ-QXMHVHEDSA-N. The full InChI is InChI=1S/C14H22O4/c1-3-4-5-6-7-8-9-10-12(14(17)18)11(2)13(15)16/h3H,1,4-10H2,2H3,(H,15,16)(H,17,18)/b12-11-.
What are the key properties of (Z)-2-methyl-3-non-8-enylbut-2-enedioic acid?
(Z)-2-methyl-3-non-8-enylbut-2-enedioic acid has a molecular weight of 254.33 g/mol, XLogP of 3.39, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-methyl-3-non-8-enylbut-2-enedioic acid is sourced from PubChem (CID 71719769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).