(1Z,3Z,5Z,7Z)-9-(dimethoxymethylidene)cyclonona-1,3,5,7-tetraene

C12H14O2 — CID 13097479

IUPAC(1Z,3Z,5Z,7Z)-9-(dimethoxymethylidene)cyclonona-1,3,5,7-tetraene
SMILESCOC(OC)=C1/C=C\C=C/C=C\C=C/1
InChIInChI=1S/C12H14O2/c1-13-12(14-2)11-9-7-5-3-4-6-8-10-11/h3-10H,1-2H3/b5-3-,6-4-,9-7-,10-8-
InChIKeyMQHNQGSEOLTGBK-RSIYVSQUSA-N
MW190.24 g/mol
LogP2.73
Rot. Bonds2

About (1Z,3Z,5Z,7Z)-9-(dimethoxymethylidene)cyclonona-1,3,5,7-tetraene

(1Z,3Z,5Z,7Z)-9-(dimethoxymethylidene)cyclonona-1,3,5,7-tetraene (PubChem CID 13097479) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is (1Z,3Z,5Z,7Z)-9-(dimethoxymethylidene)cyclonona-1,3,5,7-tetraene.

Molecular Properties

Compound Name(1Z,3Z,5Z,7Z)-9-(dimethoxymethylidene)cyclonona-1,3,5,7-tetraene
PubChem CID13097479
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name(1Z,3Z,5Z,7Z)-9-(dimethoxymethylidene)cyclonona-1,3,5,7-tetraene
SMILESCOC(OC)=C1/C=C\C=C/C=C\C=C/1
InChIInChI=1S/C12H14O2/c1-13-12(14-2)11-9-7-5-3-4-6-8-10-11/h3-10H,1-2H3/b5-3-,6-4-,9-7-,10-8-
InChIKeyMQHNQGSEOLTGBK-RSIYVSQUSA-N
XLogP2.73
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

2-(4-(cyclopenta-2,4-dien-1-ylidene)cyclohexa-2,5-dien-1-ylidene)-2H-1,3-dioxole
CID 101902360
Cyclopenta-2,4-dien-1-ylidene(methoxy)methanolate
CID 11987089
5-(Dimethoxymethylidene)cyclopenta-1,3-diene
CID 12727424
Cyclopenta-2,4-dien-1-ylidene(ethoxy)methanolate
CID 12481623
(E)-3-cyclopenta-2,4-dien-1-ylidene-1-ethoxyprop-1-en-1-olate
CID 12545700
(1Z,3Z,5Z,7Z)-9-(trimethoxymethyl)cyclonona-1,3,5,7-tetraene
CID 13097476
(4-Cyclopenta-2,4-dien-1-ylidenecyclohexa-2,5-dien-1-ylidene)-ethoxymethanolate
CID 13145380
methyl [(2E)-4-methylpenta-2,4-dien-2-yl] carbonate
CID 13440039
Sodium carboethoxycyclopentadienide
CID 23697899
Dimethoxymethylenecyclohexadiene
CID 129819844
(1E,3E)-1-(methoxymethoxy)-5-methylhexa-1,3-diene
CID 134995353
(1E,3E)-5-cyclopenta-2,4-dien-1-ylidene-1-ethoxypenta-1,3-dien-1-olate
CID 135042477

Frequently Asked Questions

What is the IUPAC name of (1Z,3Z,5Z,7Z)-9-(dimethoxymethylidene)cyclonona-1,3,5,7-tetraene?
The IUPAC name of (1Z,3Z,5Z,7Z)-9-(dimethoxymethylidene)cyclonona-1,3,5,7-tetraene (CID 13097479) is (1Z,3Z,5Z,7Z)-9-(dimethoxymethylidene)cyclonona-1,3,5,7-tetraene.
What is the SMILES notation for (1Z,3Z,5Z,7Z)-9-(dimethoxymethylidene)cyclonona-1,3,5,7-tetraene?
The canonical SMILES for (1Z,3Z,5Z,7Z)-9-(dimethoxymethylidene)cyclonona-1,3,5,7-tetraene is COC(OC)=C1/C=C\C=C/C=C\C=C/1.
What is the InChIKey of (1Z,3Z,5Z,7Z)-9-(dimethoxymethylidene)cyclonona-1,3,5,7-tetraene?
The InChIKey is MQHNQGSEOLTGBK-RSIYVSQUSA-N. The full InChI is InChI=1S/C12H14O2/c1-13-12(14-2)11-9-7-5-3-4-6-8-10-11/h3-10H,1-2H3/b5-3-,6-4-,9-7-,10-8-.
What are the key properties of (1Z,3Z,5Z,7Z)-9-(dimethoxymethylidene)cyclonona-1,3,5,7-tetraene?
(1Z,3Z,5Z,7Z)-9-(dimethoxymethylidene)cyclonona-1,3,5,7-tetraene has a molecular weight of 190.24 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z,5Z,7Z)-9-(dimethoxymethylidene)cyclonona-1,3,5,7-tetraene is sourced from PubChem (CID 13097479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).