(2Z,3Z)-2-ethylidene-3-[(3E,6E,8Z)-3-methyl-2-methylidenedeca-3,6,8-trienylidene]naphthalene;hydroiodide

C24H27I — CID 143060316

IUPAC(2Z,3Z)-2-ethylidene-3-[(3E,6E,8Z)-3-methyl-2-methylidenedeca-3,6,8-trienylidene]naphthalene;hydroiodide
SMILESC=C(/C=c1/cc2ccccc2c/c1=C/C)/C(C)=C/C/C=C/C=C\C.I
InChIInChI=1S/C24H26.HI/c1-5-7-8-9-10-13-19(3)20(4)16-24-18-23-15-12-11-14-22(23)17-21(24)6-2;/h5-9,11-18H,4,10H2,1-3H3;1H/b7-5-,9-8+,19-13+,21-6-,24-16-;
InChIKeyDEFSXCDSDQFQHG-UMIWJGQSSA-N
MW442.38 g/mol
LogP6.06
Rot. Bonds5

About (2Z,3Z)-2-ethylidene-3-[(3E,6E,8Z)-3-methyl-2-methylidenedeca-3,6,8-trienylidene]naphthalene;hydroiodide

(2Z,3Z)-2-ethylidene-3-[(3E,6E,8Z)-3-methyl-2-methylidenedeca-3,6,8-trienylidene]naphthalene;hydroiodide (PubChem CID 143060316) has the molecular formula C24H27I and a molecular weight of 442.38 g/mol. Its IUPAC name is (2Z,3Z)-2-ethylidene-3-[(3E,6E,8Z)-3-methyl-2-methylidenedeca-3,6,8-trienylidene]naphthalene;hydroiodide.

Molecular Properties

Compound Name(2Z,3Z)-2-ethylidene-3-[(3E,6E,8Z)-3-methyl-2-methylidenedeca-3,6,8-trienylidene]naphthalene;hydroiodide
PubChem CID143060316
Molecular FormulaC24H27I
Molecular Weight442.38 g/mol
Exact Mass442.12
IUPAC Name(2Z,3Z)-2-ethylidene-3-[(3E,6E,8Z)-3-methyl-2-methylidenedeca-3,6,8-trienylidene]naphthalene;hydroiodide
SMILESC=C(/C=c1/cc2ccccc2c/c1=C/C)/C(C)=C/C/C=C/C=C\C.I
InChIInChI=1S/C24H26.HI/c1-5-7-8-9-10-13-19(3)20(4)16-24-18-23-15-12-11-14-22(23)17-21(24)6-2;/h5-9,11-18H,4,10H2,1-3H3;1H/b7-5-,9-8+,19-13+,21-6-,24-16-;
InChIKeyDEFSXCDSDQFQHG-UMIWJGQSSA-N
XLogP6.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.38
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2,3-di(ethylidene)tetracene
CID 123900785
8-methylnona-2,4,7-triene
CID 152746418
(5Z,6Z)-5,6-di(ethylidene)cyclohexa-1,3-diene;(2Z,4Z)-hexa-2,4-diene;methane
CID 161028149
ethane;methane;[(6Z)-octa-1,4,6-trien-2-yl]benzene
CID 144893157
N-hexa-2,4-dienylnaphthalen-2-amine
CID 123968148
5-hexa-2,4-dien-2-ylbenzo[10]annulene
CID 123186746
2-[(1E,3E)-penta-1,3-dienyl]naphthalene
CID 135079977
1-dibenzofuran-3-yl-N-[(4Z,6Z)-octa-1,4,6-trien-2-yl]ethanimine
CID 167072457
9-[(2Z,4Z)-hexa-2,4-dienyl]carbazole
CID 89011287
diphenylsulfanium;(2Z,4Z)-hepta-2,4-diene
CID 144560706
N-[(3Z,5E,6E)-5-ethylidene-6-methyldodeca-1,3,6,9-tetraen-2-yl]-N-methyl-7,8-didehydrophenanthren-9-amine
CID 144660610
acetylene;2-[(2Z,4Z)-hexa-2,4-dienyl]-4-[(E)-2-naphthalen-1-ylethenyl]pyridine
CID 142200345

Frequently Asked Questions

What is the IUPAC name of (2Z,3Z)-2-ethylidene-3-[(3E,6E,8Z)-3-methyl-2-methylidenedeca-3,6,8-trienylidene]naphthalene;hydroiodide?
The IUPAC name of (2Z,3Z)-2-ethylidene-3-[(3E,6E,8Z)-3-methyl-2-methylidenedeca-3,6,8-trienylidene]naphthalene;hydroiodide (CID 143060316) is (2Z,3Z)-2-ethylidene-3-[(3E,6E,8Z)-3-methyl-2-methylidenedeca-3,6,8-trienylidene]naphthalene;hydroiodide.
What is the SMILES notation for (2Z,3Z)-2-ethylidene-3-[(3E,6E,8Z)-3-methyl-2-methylidenedeca-3,6,8-trienylidene]naphthalene;hydroiodide?
The canonical SMILES for (2Z,3Z)-2-ethylidene-3-[(3E,6E,8Z)-3-methyl-2-methylidenedeca-3,6,8-trienylidene]naphthalene;hydroiodide is C=C(/C=c1/cc2ccccc2c/c1=C/C)/C(C)=C/C/C=C/C=C\C.I.
What is the InChIKey of (2Z,3Z)-2-ethylidene-3-[(3E,6E,8Z)-3-methyl-2-methylidenedeca-3,6,8-trienylidene]naphthalene;hydroiodide?
The InChIKey is DEFSXCDSDQFQHG-UMIWJGQSSA-N. The full InChI is InChI=1S/C24H26.HI/c1-5-7-8-9-10-13-19(3)20(4)16-24-18-23-15-12-11-14-22(23)17-21(24)6-2;/h5-9,11-18H,4,10H2,1-3H3;1H/b7-5-,9-8+,19-13+,21-6-,24-16-;.
What are the key properties of (2Z,3Z)-2-ethylidene-3-[(3E,6E,8Z)-3-methyl-2-methylidenedeca-3,6,8-trienylidene]naphthalene;hydroiodide?
(2Z,3Z)-2-ethylidene-3-[(3E,6E,8Z)-3-methyl-2-methylidenedeca-3,6,8-trienylidene]naphthalene;hydroiodide has a molecular weight of 442.38 g/mol, XLogP of 6.06, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,3Z)-2-ethylidene-3-[(3E,6E,8Z)-3-methyl-2-methylidenedeca-3,6,8-trienylidene]naphthalene;hydroiodide is sourced from PubChem (CID 143060316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).