(3Z,6Z,7Z)-4-ethenyl-6-(methoxymethylidene)nona-1,3,7-triene

C13H18O — CID 143921031

IUPAC(3Z,6Z,7Z)-4-ethenyl-6-(methoxymethylidene)nona-1,3,7-triene
SMILESC=C/C=C(\C=C)CC(/C=C\C)=C/OC
InChIInChI=1S/C13H18O/c1-5-8-12(7-3)10-13(9-6-2)11-14-4/h5-9,11H,1,3,10H2,2,4H3/b9-6-,12-8+,13-11+
InChIKeyWCCQYIGXCAKFIY-JNJPKCOVSA-N
MW190.29 g/mol
LogP3.78
Rot. Bonds6

About (3Z,6Z,7Z)-4-ethenyl-6-(methoxymethylidene)nona-1,3,7-triene

(3Z,6Z,7Z)-4-ethenyl-6-(methoxymethylidene)nona-1,3,7-triene (PubChem CID 143921031) has the molecular formula C13H18O and a molecular weight of 190.29 g/mol. Its IUPAC name is (3Z,6Z,7Z)-4-ethenyl-6-(methoxymethylidene)nona-1,3,7-triene.

Molecular Properties

Compound Name(3Z,6Z,7Z)-4-ethenyl-6-(methoxymethylidene)nona-1,3,7-triene
PubChem CID143921031
Molecular FormulaC13H18O
Molecular Weight190.29 g/mol
Exact Mass190.14
IUPAC Name(3Z,6Z,7Z)-4-ethenyl-6-(methoxymethylidene)nona-1,3,7-triene
SMILESC=C/C=C(\C=C)CC(/C=C\C)=C/OC
InChIInChI=1S/C13H18O/c1-5-8-12(7-3)10-13(9-6-2)11-14-4/h5-9,11H,1,3,10H2,2,4H3/b9-6-,12-8+,13-11+
InChIKeyWCCQYIGXCAKFIY-JNJPKCOVSA-N
XLogP3.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3Z,6Z,7Z)-6-ethylidene-4-[(Z)-prop-1-enyl]deca-1,3,7-triene
CID 144556498
ethane;N-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]-N'-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]ethane-1,2-diamine
CID 144617318
N-[(2Z)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]methanimine
CID 166868320
N-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]methanimine
CID 142294235
ethane;(3E,5Z)-4-(methylsulfanylmethyl)hepta-1,3,5-triene
CID 142823912
(3Z)-N-propan-2-yl-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-amine
CID 134516324
ethane;(3Z)-4-[(Z)-prop-1-enyl]octa-1,3-diene
CID 142022123
ethane;(3Z)-3-[(Z)-prop-1-enyl]hexa-3,5-dienenitrile
CID 142107986
(3Z,7E)-4-ethenylnona-1,3,7-triene
CID 144915072
(3Z)-3-ethylhexa-1,3,5-triene
CID 22044475
(3E,5E)-4-[(Z)-2-methoxyethenyl]-5-[(Z)-prop-1-enyl]octa-1,3,5,7-tetraene
CID 130219587
(5Z)-N-ethyl-5-[(Z)-prop-1-enyl]octa-5,7-dien-3-amine
CID 142416961

Frequently Asked Questions

What is the IUPAC name of (3Z,6Z,7Z)-4-ethenyl-6-(methoxymethylidene)nona-1,3,7-triene?
The IUPAC name of (3Z,6Z,7Z)-4-ethenyl-6-(methoxymethylidene)nona-1,3,7-triene (CID 143921031) is (3Z,6Z,7Z)-4-ethenyl-6-(methoxymethylidene)nona-1,3,7-triene.
What is the SMILES notation for (3Z,6Z,7Z)-4-ethenyl-6-(methoxymethylidene)nona-1,3,7-triene?
The canonical SMILES for (3Z,6Z,7Z)-4-ethenyl-6-(methoxymethylidene)nona-1,3,7-triene is C=C/C=C(\C=C)CC(/C=C\C)=C/OC.
What is the InChIKey of (3Z,6Z,7Z)-4-ethenyl-6-(methoxymethylidene)nona-1,3,7-triene?
The InChIKey is WCCQYIGXCAKFIY-JNJPKCOVSA-N. The full InChI is InChI=1S/C13H18O/c1-5-8-12(7-3)10-13(9-6-2)11-14-4/h5-9,11H,1,3,10H2,2,4H3/b9-6-,12-8+,13-11+.
What are the key properties of (3Z,6Z,7Z)-4-ethenyl-6-(methoxymethylidene)nona-1,3,7-triene?
(3Z,6Z,7Z)-4-ethenyl-6-(methoxymethylidene)nona-1,3,7-triene has a molecular weight of 190.29 g/mol, XLogP of 3.78, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,6Z,7Z)-4-ethenyl-6-(methoxymethylidene)nona-1,3,7-triene is sourced from PubChem (CID 143921031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).