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

C13H18O3 — CID 13097476

IUPAC(1Z,3Z,5Z,7Z)-9-(trimethoxymethyl)cyclonona-1,3,5,7-tetraene
SMILESCOC(OC)(OC)C1/C=C\C=C/C=C\C=C/1
InChIInChI=1S/C13H18O3/c1-14-13(15-2,16-3)12-10-8-6-4-5-7-9-11-12/h4-12H,1-3H3/b6-4-,7-5-,10-8-,11-9-
InChIKeyMMKRCDKWUJGJSE-FNPFZWACSA-N
MW222.28 g/mol
LogP2.43
Rot. Bonds4

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

(1Z,3Z,5Z,7Z)-9-(trimethoxymethyl)cyclonona-1,3,5,7-tetraene (PubChem CID 13097476) has the molecular formula C13H18O3 and a molecular weight of 222.28 g/mol. Its IUPAC name is (1Z,3Z,5Z,7Z)-9-(trimethoxymethyl)cyclonona-1,3,5,7-tetraene.

Molecular Properties

Compound Name(1Z,3Z,5Z,7Z)-9-(trimethoxymethyl)cyclonona-1,3,5,7-tetraene
PubChem CID13097476
Molecular FormulaC13H18O3
Molecular Weight222.28 g/mol
Exact Mass222.13
IUPAC Name(1Z,3Z,5Z,7Z)-9-(trimethoxymethyl)cyclonona-1,3,5,7-tetraene
SMILESCOC(OC)(OC)C1/C=C\C=C/C=C\C=C/1
InChIInChI=1S/C13H18O3/c1-14-13(15-2,16-3)12-10-8-6-4-5-7-9-11-12/h4-12H,1-3H3/b6-4-,7-5-,10-8-,11-9-
InChIKeyMMKRCDKWUJGJSE-FNPFZWACSA-N
XLogP2.43
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze (1Z,3Z,5Z,7Z)-9-(trimethoxymethyl)cyclonona-1,3,5,7-tetraene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(Dimethoxymethyl)-1,3-cyclopentadiene
CID 10888003
(1E,3E)-1-(methoxymethoxy)-5-methylhexa-1,3-diene
CID 134995353
7-(Dimethoxymethyl)cyclohepta-1,3,5-triene
CID 291111
Mqhnqgseoltgbk-rsiyvsqusa-
CID 13097479
(3Z,5Z)-1,1-dimethoxyocta-3,5-diene
CID 88745240
(3Z,5Z)-8-(methoxymethoxy)octa-1,3,5-triene
CID 89324350
(E)-5,5-dimethoxy-4-methylpent-2-ene
CID 117723689
(5Z,6Z)-5-prop-2-enylidene-6-(3,3,3-trimethoxypropylidene)cyclohexa-1,3-diene
CID 126607637
Carbanide;5-methanidylcyclopenta-1,3-diene;titanium;trimethoxymethane
CID 151835469
(E)-5,5,5-trimethoxypent-2-ene
CID 11480606
6-(Ethoxymethoxy)hexa-1,3-diene
CID 71412598
(3E)-6-(methoxymethoxy)-2-methylhexa-1,3-diene
CID 100937484

Frequently Asked Questions

What is the IUPAC name of (1Z,3Z,5Z,7Z)-9-(trimethoxymethyl)cyclonona-1,3,5,7-tetraene?
The IUPAC name of (1Z,3Z,5Z,7Z)-9-(trimethoxymethyl)cyclonona-1,3,5,7-tetraene (CID 13097476) is (1Z,3Z,5Z,7Z)-9-(trimethoxymethyl)cyclonona-1,3,5,7-tetraene.
What is the SMILES notation for (1Z,3Z,5Z,7Z)-9-(trimethoxymethyl)cyclonona-1,3,5,7-tetraene?
The canonical SMILES for (1Z,3Z,5Z,7Z)-9-(trimethoxymethyl)cyclonona-1,3,5,7-tetraene is COC(OC)(OC)C1/C=C\C=C/C=C\C=C/1.
What is the InChIKey of (1Z,3Z,5Z,7Z)-9-(trimethoxymethyl)cyclonona-1,3,5,7-tetraene?
The InChIKey is MMKRCDKWUJGJSE-FNPFZWACSA-N. The full InChI is InChI=1S/C13H18O3/c1-14-13(15-2,16-3)12-10-8-6-4-5-7-9-11-12/h4-12H,1-3H3/b6-4-,7-5-,10-8-,11-9-.
What are the key properties of (1Z,3Z,5Z,7Z)-9-(trimethoxymethyl)cyclonona-1,3,5,7-tetraene?
(1Z,3Z,5Z,7Z)-9-(trimethoxymethyl)cyclonona-1,3,5,7-tetraene has a molecular weight of 222.28 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z,5Z,7Z)-9-(trimethoxymethyl)cyclonona-1,3,5,7-tetraene is sourced from PubChem (CID 13097476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).