5-[(3Z,5E,8Z,10Z)-5-ethylidene-2,6-dimethoxy-7-methylidenedodeca-1,3,8,10-tetraen-6-yl]-2-methoxycyclohexa-1,3-diene

C24H32O3 — CID 89215330

IUPAC5-[(3Z,5E,8Z,10Z)-5-ethylidene-2,6-dimethoxy-7-methylidenedodeca-1,3,8,10-tetraen-6-yl]-2-methoxycyclohexa-1,3-diene
SMILESC=C(/C=C\C(=C/C)C(OC)(C(=C)/C=C\C=C/C)C1C=CC(OC)=CC1)OC
InChIInChI=1S/C24H32O3/c1-8-10-11-12-19(3)24(27-7,21(9-2)14-13-20(4)25-5)22-15-17-23(26-6)18-16-22/h8-15,17-18,22H,3-4,16H2,1-2,5-7H3/b10-8-,12-11-,14-13-,21-9+
InChIKeyMAYLXAPVOHVFEN-UFKRGRRMSA-N
MW368.52 g/mol
LogP5.83
Rot. Bonds10

About 5-[(3Z,5E,8Z,10Z)-5-ethylidene-2,6-dimethoxy-7-methylidenedodeca-1,3,8,10-tetraen-6-yl]-2-methoxycyclohexa-1,3-diene

5-[(3Z,5E,8Z,10Z)-5-ethylidene-2,6-dimethoxy-7-methylidenedodeca-1,3,8,10-tetraen-6-yl]-2-methoxycyclohexa-1,3-diene (PubChem CID 89215330) has the molecular formula C24H32O3 and a molecular weight of 368.52 g/mol. Its IUPAC name is 5-[(3Z,5E,8Z,10Z)-5-ethylidene-2,6-dimethoxy-7-methylidenedodeca-1,3,8,10-tetraen-6-yl]-2-methoxycyclohexa-1,3-diene.

Molecular Properties

Compound Name5-[(3Z,5E,8Z,10Z)-5-ethylidene-2,6-dimethoxy-7-methylidenedodeca-1,3,8,10-tetraen-6-yl]-2-methoxycyclohexa-1,3-diene
PubChem CID89215330
Molecular FormulaC24H32O3
Molecular Weight368.52 g/mol
Exact Mass368.24
IUPAC Name5-[(3Z,5E,8Z,10Z)-5-ethylidene-2,6-dimethoxy-7-methylidenedodeca-1,3,8,10-tetraen-6-yl]-2-methoxycyclohexa-1,3-diene
SMILESC=C(/C=C\C(=C/C)C(OC)(C(=C)/C=C\C=C/C)C1C=CC(OC)=CC1)OC
InChIInChI=1S/C24H32O3/c1-8-10-11-12-19(3)24(27-7,21(9-2)14-13-20(4)25-5)22-15-17-23(26-6)18-16-22/h8-15,17-18,22H,3-4,16H2,1-2,5-7H3/b10-8-,12-11-,14-13-,21-9+
InChIKeyMAYLXAPVOHVFEN-UFKRGRRMSA-N
XLogP5.83
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.52
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(3Z,5E,8Z,10Z)-5-ethylidene-2,6-dimethoxy-7-methylidenedodeca-1,3,8,10-tetraen-6-yl]-2-methoxycyclohexa-1,3-diene?
The IUPAC name of 5-[(3Z,5E,8Z,10Z)-5-ethylidene-2,6-dimethoxy-7-methylidenedodeca-1,3,8,10-tetraen-6-yl]-2-methoxycyclohexa-1,3-diene (CID 89215330) is 5-[(3Z,5E,8Z,10Z)-5-ethylidene-2,6-dimethoxy-7-methylidenedodeca-1,3,8,10-tetraen-6-yl]-2-methoxycyclohexa-1,3-diene.
What is the SMILES notation for 5-[(3Z,5E,8Z,10Z)-5-ethylidene-2,6-dimethoxy-7-methylidenedodeca-1,3,8,10-tetraen-6-yl]-2-methoxycyclohexa-1,3-diene?
The canonical SMILES for 5-[(3Z,5E,8Z,10Z)-5-ethylidene-2,6-dimethoxy-7-methylidenedodeca-1,3,8,10-tetraen-6-yl]-2-methoxycyclohexa-1,3-diene is C=C(/C=C\C(=C/C)C(OC)(C(=C)/C=C\C=C/C)C1C=CC(OC)=CC1)OC.
What is the InChIKey of 5-[(3Z,5E,8Z,10Z)-5-ethylidene-2,6-dimethoxy-7-methylidenedodeca-1,3,8,10-tetraen-6-yl]-2-methoxycyclohexa-1,3-diene?
The InChIKey is MAYLXAPVOHVFEN-UFKRGRRMSA-N. The full InChI is InChI=1S/C24H32O3/c1-8-10-11-12-19(3)24(27-7,21(9-2)14-13-20(4)25-5)22-15-17-23(26-6)18-16-22/h8-15,17-18,22H,3-4,16H2,1-2,5-7H3/b10-8-,12-11-,14-13-,21-9+.
What are the key properties of 5-[(3Z,5E,8Z,10Z)-5-ethylidene-2,6-dimethoxy-7-methylidenedodeca-1,3,8,10-tetraen-6-yl]-2-methoxycyclohexa-1,3-diene?
5-[(3Z,5E,8Z,10Z)-5-ethylidene-2,6-dimethoxy-7-methylidenedodeca-1,3,8,10-tetraen-6-yl]-2-methoxycyclohexa-1,3-diene has a molecular weight of 368.52 g/mol, XLogP of 5.83, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3Z,5E,8Z,10Z)-5-ethylidene-2,6-dimethoxy-7-methylidenedodeca-1,3,8,10-tetraen-6-yl]-2-methoxycyclohexa-1,3-diene is sourced from PubChem (CID 89215330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).