(5Z)-5-[(4Z)-2,3-dimethylidene-6-[2-[(Z)-(4-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]prop-2-enoxy]hepta-4,6-dienylidene]-6-methylidenecyclohex-3-en-1-ol

C28H30O2 — CID 145485321

IUPAC(5Z)-5-[(4Z)-2,3-dimethylidene-6-[2-[(Z)-(4-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]prop-2-enoxy]hepta-4,6-dienylidene]-6-methylidenecyclohex-3-en-1-ol
SMILESC=C(/C=c1/ccc(C)cc1=C)COC(=C)/C=C\C(=C)C(=C)/C=C1/C=CCC(O)C1=C
InChIInChI=1S/C28H30O2/c1-19-11-14-26(23(5)15-19)16-20(2)18-30-24(6)13-12-21(3)22(4)17-27-9-8-10-28(29)25(27)7/h8-9,11-17,28-29H,2-7,10,18H2,1H3/b13-12-,26-16-,27-17-
InChIKeyJVTMFQMXFXHCEW-WKSHNOAPSA-N
MW398.55 g/mol
LogP4.74
Rot. Bonds8

About (5Z)-5-[(4Z)-2,3-dimethylidene-6-[2-[(Z)-(4-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]prop-2-enoxy]hepta-4,6-dienylidene]-6-methylidenecyclohex-3-en-1-ol

(5Z)-5-[(4Z)-2,3-dimethylidene-6-[2-[(Z)-(4-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]prop-2-enoxy]hepta-4,6-dienylidene]-6-methylidenecyclohex-3-en-1-ol (PubChem CID 145485321) has the molecular formula C28H30O2 and a molecular weight of 398.55 g/mol. Its IUPAC name is (5Z)-5-[(4Z)-2,3-dimethylidene-6-[2-[(Z)-(4-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]prop-2-enoxy]hepta-4,6-dienylidene]-6-methylidenecyclohex-3-en-1-ol.

Molecular Properties

Compound Name(5Z)-5-[(4Z)-2,3-dimethylidene-6-[2-[(Z)-(4-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]prop-2-enoxy]hepta-4,6-dienylidene]-6-methylidenecyclohex-3-en-1-ol
PubChem CID145485321
Molecular FormulaC28H30O2
Molecular Weight398.55 g/mol
Exact Mass398.22
IUPAC Name(5Z)-5-[(4Z)-2,3-dimethylidene-6-[2-[(Z)-(4-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]prop-2-enoxy]hepta-4,6-dienylidene]-6-methylidenecyclohex-3-en-1-ol
SMILESC=C(/C=c1/ccc(C)cc1=C)COC(=C)/C=C\C(=C)C(=C)/C=C1/C=CCC(O)C1=C
InChIInChI=1S/C28H30O2/c1-19-11-14-26(23(5)15-19)16-20(2)18-30-24(6)13-12-21(3)22(4)17-27-9-8-10-28(29)25(27)7/h8-9,11-17,28-29H,2-7,10,18H2,1H3/b13-12-,26-16-,27-17-
InChIKeyJVTMFQMXFXHCEW-WKSHNOAPSA-N
XLogP4.74
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.55
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (5Z)-5-[(4Z)-2,3-dimethylidene-6-[2-[(Z)-(4-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]prop-2-enoxy]hepta-4,6-dienylidene]-6-methylidenecyclohex-3-en-1-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(4Z)-2,3-dimethylidene-6-[2-[(Z)-(4-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]prop-2-enoxy]hepta-4,6-dienylidene]-6-methylidenecyclohex-3-en-1-ol?
The IUPAC name of (5Z)-5-[(4Z)-2,3-dimethylidene-6-[2-[(Z)-(4-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]prop-2-enoxy]hepta-4,6-dienylidene]-6-methylidenecyclohex-3-en-1-ol (CID 145485321) is (5Z)-5-[(4Z)-2,3-dimethylidene-6-[2-[(Z)-(4-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]prop-2-enoxy]hepta-4,6-dienylidene]-6-methylidenecyclohex-3-en-1-ol.
What is the SMILES notation for (5Z)-5-[(4Z)-2,3-dimethylidene-6-[2-[(Z)-(4-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]prop-2-enoxy]hepta-4,6-dienylidene]-6-methylidenecyclohex-3-en-1-ol?
The canonical SMILES for (5Z)-5-[(4Z)-2,3-dimethylidene-6-[2-[(Z)-(4-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]prop-2-enoxy]hepta-4,6-dienylidene]-6-methylidenecyclohex-3-en-1-ol is C=C(/C=c1/ccc(C)cc1=C)COC(=C)/C=C\C(=C)C(=C)/C=C1/C=CCC(O)C1=C.
What is the InChIKey of (5Z)-5-[(4Z)-2,3-dimethylidene-6-[2-[(Z)-(4-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]prop-2-enoxy]hepta-4,6-dienylidene]-6-methylidenecyclohex-3-en-1-ol?
The InChIKey is JVTMFQMXFXHCEW-WKSHNOAPSA-N. The full InChI is InChI=1S/C28H30O2/c1-19-11-14-26(23(5)15-19)16-20(2)18-30-24(6)13-12-21(3)22(4)17-27-9-8-10-28(29)25(27)7/h8-9,11-17,28-29H,2-7,10,18H2,1H3/b13-12-,26-16-,27-17-.
What are the key properties of (5Z)-5-[(4Z)-2,3-dimethylidene-6-[2-[(Z)-(4-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]prop-2-enoxy]hepta-4,6-dienylidene]-6-methylidenecyclohex-3-en-1-ol?
(5Z)-5-[(4Z)-2,3-dimethylidene-6-[2-[(Z)-(4-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]prop-2-enoxy]hepta-4,6-dienylidene]-6-methylidenecyclohex-3-en-1-ol has a molecular weight of 398.55 g/mol, XLogP of 4.74, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(4Z)-2,3-dimethylidene-6-[2-[(Z)-(4-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]prop-2-enoxy]hepta-4,6-dienylidene]-6-methylidenecyclohex-3-en-1-ol is sourced from PubChem (CID 145485321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).