(3Z,7Z)-2,5,6,9-tetramethylidenedeca-3,7-dienedioic acid

C14H14O4 — CID 142923981

IUPAC(3Z,7Z)-2,5,6,9-tetramethylidenedeca-3,7-dienedioic acid
SMILESC=C(/C=C\C(=C)C(=O)O)C(=C)/C=C\C(=C)C(=O)O
InChIInChI=1S/C14H14O4/c1-9(5-7-11(3)13(15)16)10(2)6-8-12(4)14(17)18/h5-8H,1-4H2,(H,15,16)(H,17,18)/b7-5-,8-6-
InChIKeyROIMVPKKADXWMW-SFECMWDFSA-N
MW246.26 g/mol
LogP2.49
Rot. Bonds7

About (3Z,7Z)-2,5,6,9-tetramethylidenedeca-3,7-dienedioic acid

(3Z,7Z)-2,5,6,9-tetramethylidenedeca-3,7-dienedioic acid (PubChem CID 142923981) has the molecular formula C14H14O4 and a molecular weight of 246.26 g/mol. Its IUPAC name is (3Z,7Z)-2,5,6,9-tetramethylidenedeca-3,7-dienedioic acid.

Molecular Properties

Compound Name(3Z,7Z)-2,5,6,9-tetramethylidenedeca-3,7-dienedioic acid
PubChem CID142923981
Molecular FormulaC14H14O4
Molecular Weight246.26 g/mol
Exact Mass246.09
IUPAC Name(3Z,7Z)-2,5,6,9-tetramethylidenedeca-3,7-dienedioic acid
SMILESC=C(/C=C\C(=C)C(=O)O)C(=C)/C=C\C(=C)C(=O)O
InChIInChI=1S/C14H14O4/c1-9(5-7-11(3)13(15)16)10(2)6-8-12(4)14(17)18/h5-8H,1-4H2,(H,15,16)(H,17,18)/b7-5-,8-6-
InChIKeyROIMVPKKADXWMW-SFECMWDFSA-N
XLogP2.49
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3Z)-5-methyl-2-methylidenehexa-3,5-dienoic acid
CID 142042516
2-methylidenehexa-3,5-dienoic acid;hydrate
CID 87513549
5-ethyl-2-methylidenehepta-3,5-dienoic acid
CID 91121343
(3Z)-2-methylidene-5-(trifluoromethoxy)hexa-3,5-dienoic acid
CID 144580682
ethane;(3Z,5Z)-2-methylidenehepta-3,5-dienoic acid
CID 176938784
azane;2-methylidenebut-3-enoic acid
CID 88748987
ethane;(3Z,5E)-2-methylidene-5-nitrohepta-3,5-dienoic acid
CID 142813071
azane;2-hydroxyprop-2-enoic acid
CID 158386305
(E)-2-hydroxy-4-methylidenepent-2-enedioic acid
CID 45479635
(3Z,8Z)-2,10-dihydroxy-5,7-dimethylideneundeca-1,3,8,10-tetraen-6-one
CID 145356747
2-methylideneoct-3-enoic acid
CID 54236910
azane;2-methylidene-4-phenylbut-3-enoic acid
CID 173161880

Frequently Asked Questions

What is the IUPAC name of (3Z,7Z)-2,5,6,9-tetramethylidenedeca-3,7-dienedioic acid?
The IUPAC name of (3Z,7Z)-2,5,6,9-tetramethylidenedeca-3,7-dienedioic acid (CID 142923981) is (3Z,7Z)-2,5,6,9-tetramethylidenedeca-3,7-dienedioic acid.
What is the SMILES notation for (3Z,7Z)-2,5,6,9-tetramethylidenedeca-3,7-dienedioic acid?
The canonical SMILES for (3Z,7Z)-2,5,6,9-tetramethylidenedeca-3,7-dienedioic acid is C=C(/C=C\C(=C)C(=O)O)C(=C)/C=C\C(=C)C(=O)O.
What is the InChIKey of (3Z,7Z)-2,5,6,9-tetramethylidenedeca-3,7-dienedioic acid?
The InChIKey is ROIMVPKKADXWMW-SFECMWDFSA-N. The full InChI is InChI=1S/C14H14O4/c1-9(5-7-11(3)13(15)16)10(2)6-8-12(4)14(17)18/h5-8H,1-4H2,(H,15,16)(H,17,18)/b7-5-,8-6-.
What are the key properties of (3Z,7Z)-2,5,6,9-tetramethylidenedeca-3,7-dienedioic acid?
(3Z,7Z)-2,5,6,9-tetramethylidenedeca-3,7-dienedioic acid has a molecular weight of 246.26 g/mol, XLogP of 2.49, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,7Z)-2,5,6,9-tetramethylidenedeca-3,7-dienedioic acid is sourced from PubChem (CID 142923981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).