(6E)-6-[(Z)-but-2-enylidene]-1-(methoxymethyl)-5-methylidenecyclohexa-1,3-diene

C13H16O — CID 146252305

IUPAC(6E)-6-[(Z)-but-2-enylidene]-1-(methoxymethyl)-5-methylidenecyclohexa-1,3-diene
SMILESC=c1cccc(COC)/c1=C/C=C\C
InChIInChI=1S/C13H16O/c1-4-5-9-13-11(2)7-6-8-12(13)10-14-3/h4-9H,2,10H2,1,3H3/b5-4-,13-9+
InChIKeyPKJSZSFBKNAXTH-UVJMCMIKSA-N
MW188.27 g/mol
LogP1.60
Rot. Bonds3

About (6E)-6-[(Z)-but-2-enylidene]-1-(methoxymethyl)-5-methylidenecyclohexa-1,3-diene

(6E)-6-[(Z)-but-2-enylidene]-1-(methoxymethyl)-5-methylidenecyclohexa-1,3-diene (PubChem CID 146252305) has the molecular formula C13H16O and a molecular weight of 188.27 g/mol. Its IUPAC name is (6E)-6-[(Z)-but-2-enylidene]-1-(methoxymethyl)-5-methylidenecyclohexa-1,3-diene.

Molecular Properties

Compound Name(6E)-6-[(Z)-but-2-enylidene]-1-(methoxymethyl)-5-methylidenecyclohexa-1,3-diene
PubChem CID146252305
Molecular FormulaC13H16O
Molecular Weight188.27 g/mol
Exact Mass188.12
IUPAC Name(6E)-6-[(Z)-but-2-enylidene]-1-(methoxymethyl)-5-methylidenecyclohexa-1,3-diene
SMILESC=c1cccc(COC)/c1=C/C=C\C
InChIInChI=1S/C13H16O/c1-4-5-9-13-11(2)7-6-8-12(13)10-14-3/h4-9H,2,10H2,1,3H3/b5-4-,13-9+
InChIKeyPKJSZSFBKNAXTH-UVJMCMIKSA-N
XLogP1.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (6E)-6-[(Z)-but-2-enylidene]-1-(methoxymethyl)-5-methylidenecyclohexa-1,3-diene 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

tris(2,6-bis(methoxymethyl)benzenethiol);trihydrofluoride
CID 173023834
2-[2,6-bis(methoxymethyl)phenyl]sulfanyl-1,3-bis(methoxymethyl)benzene
CID 151554514
[2,6-bis(methoxymethyl)phenyl]methanamine;hydrochloride
CID 19835696
3-(methoxymethyl)benzene-1,2-diamine
CID 45116640
1-(methoxymethyl)-2-[2-(methoxymethyl)-6-methylphenoxy]-3-methylbenzene
CID 70193365
1,8-bis(methoxymethyl)-9H-fluorene
CID 176835432
3-(methoxymethyl)-2-methylaniline
CID 14801184
CID 123655745
CID 123655745
CID 174755667
CID 174755667
2-fluoro-1-methoxy-3-(methoxymethyl)benzene
CID 70661160
CID 88945254
CID 88945254
1-[2-fluoro-3-(methoxymethyl)phenyl]-2-methylpropan-2-amine
CID 117302099

Frequently Asked Questions

What is the IUPAC name of (6E)-6-[(Z)-but-2-enylidene]-1-(methoxymethyl)-5-methylidenecyclohexa-1,3-diene?
The IUPAC name of (6E)-6-[(Z)-but-2-enylidene]-1-(methoxymethyl)-5-methylidenecyclohexa-1,3-diene (CID 146252305) is (6E)-6-[(Z)-but-2-enylidene]-1-(methoxymethyl)-5-methylidenecyclohexa-1,3-diene.
What is the SMILES notation for (6E)-6-[(Z)-but-2-enylidene]-1-(methoxymethyl)-5-methylidenecyclohexa-1,3-diene?
The canonical SMILES for (6E)-6-[(Z)-but-2-enylidene]-1-(methoxymethyl)-5-methylidenecyclohexa-1,3-diene is C=c1cccc(COC)/c1=C/C=C\C.
What is the InChIKey of (6E)-6-[(Z)-but-2-enylidene]-1-(methoxymethyl)-5-methylidenecyclohexa-1,3-diene?
The InChIKey is PKJSZSFBKNAXTH-UVJMCMIKSA-N. The full InChI is InChI=1S/C13H16O/c1-4-5-9-13-11(2)7-6-8-12(13)10-14-3/h4-9H,2,10H2,1,3H3/b5-4-,13-9+.
What are the key properties of (6E)-6-[(Z)-but-2-enylidene]-1-(methoxymethyl)-5-methylidenecyclohexa-1,3-diene?
(6E)-6-[(Z)-but-2-enylidene]-1-(methoxymethyl)-5-methylidenecyclohexa-1,3-diene has a molecular weight of 188.27 g/mol, XLogP of 1.60, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-6-[(Z)-but-2-enylidene]-1-(methoxymethyl)-5-methylidenecyclohexa-1,3-diene is sourced from PubChem (CID 146252305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).