(6Z)-1,5,5-trimethyl-6-[(2E,4E,6E,8E,10E,12E,14E,16E,18Z)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexa-2,4-dien-1-ylidene)octadeca-2,4,6,8,10,12,14,16-octaenylidene]cyclohexa-1,3-diene

C40H50 — CID 177418092

IUPAC(6Z)-1,5,5-trimethyl-6-[(2E,4E,6E,8E,10E,12E,14E,16E,18Z)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexa-2,4-dien-1-ylidene)octadeca-2,4,6,8,10,12,14,16-octaenylidene]cyclohexa-1,3-diene
SMILESCC1=CC=CC(C)(C)/C1=C\C=C(C)\C=C\C=C(C)\C=C\C=C\C(C)=C\C=C\C(C)=C\C=C1\C(C)=CC=CC1(C)C
InChIInChI=1S/C40H50/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-30H,1-10H3/b17-11+,18-12+,21-13+,22-14+,31-19+,32-20+,33-25+,34-26+,37-27-,38-28-
InChIKeyPWZXLDMNUZDPKS-WFVYOHTHSA-N
MW530.84 g/mol
LogP11.93
Rot. Bonds9

About (6Z)-1,5,5-trimethyl-6-[(2E,4E,6E,8E,10E,12E,14E,16E,18Z)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexa-2,4-dien-1-ylidene)octadeca-2,4,6,8,10,12,14,16-octaenylidene]cyclohexa-1,3-diene

(6Z)-1,5,5-trimethyl-6-[(2E,4E,6E,8E,10E,12E,14E,16E,18Z)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexa-2,4-dien-1-ylidene)octadeca-2,4,6,8,10,12,14,16-octaenylidene]cyclohexa-1,3-diene (PubChem CID 177418092) has the molecular formula C40H50 and a molecular weight of 530.84 g/mol. Its IUPAC name is (6Z)-1,5,5-trimethyl-6-[(2E,4E,6E,8E,10E,12E,14E,16E,18Z)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexa-2,4-dien-1-ylidene)octadeca-2,4,6,8,10,12,14,16-octaenylidene]cyclohexa-1,3-diene.

Molecular Properties

Compound Name(6Z)-1,5,5-trimethyl-6-[(2E,4E,6E,8E,10E,12E,14E,16E,18Z)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexa-2,4-dien-1-ylidene)octadeca-2,4,6,8,10,12,14,16-octaenylidene]cyclohexa-1,3-diene
PubChem CID177418092
Molecular FormulaC40H50
Molecular Weight530.84 g/mol
Exact Mass530.39
IUPAC Name(6Z)-1,5,5-trimethyl-6-[(2E,4E,6E,8E,10E,12E,14E,16E,18Z)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexa-2,4-dien-1-ylidene)octadeca-2,4,6,8,10,12,14,16-octaenylidene]cyclohexa-1,3-diene
SMILESCC1=CC=CC(C)(C)/C1=C\C=C(C)\C=C\C=C(C)\C=C\C=C\C(C)=C\C=C\C(C)=C\C=C1\C(C)=CC=CC1(C)C
InChIInChI=1S/C40H50/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-30H,1-10H3/b17-11+,18-12+,21-13+,22-14+,31-19+,32-20+,33-25+,34-26+,37-27-,38-28-
InChIKeyPWZXLDMNUZDPKS-WFVYOHTHSA-N
XLogP11.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.84
LogP ≤ 511.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (6Z)-1,5,5-trimethyl-6-[(2E,4E,6E,8E,10E,12E,14E,16E,18Z)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexa-2,4-dien-1-ylidene)octadeca-2,4,6,8,10,12,14,16-octaenylidene]cyclohexa-1,3-diene with MolForge

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Frequently Asked Questions

What is the IUPAC name of (6Z)-1,5,5-trimethyl-6-[(2E,4E,6E,8E,10E,12E,14E,16E,18Z)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexa-2,4-dien-1-ylidene)octadeca-2,4,6,8,10,12,14,16-octaenylidene]cyclohexa-1,3-diene?
The IUPAC name of (6Z)-1,5,5-trimethyl-6-[(2E,4E,6E,8E,10E,12E,14E,16E,18Z)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexa-2,4-dien-1-ylidene)octadeca-2,4,6,8,10,12,14,16-octaenylidene]cyclohexa-1,3-diene (CID 177418092) is (6Z)-1,5,5-trimethyl-6-[(2E,4E,6E,8E,10E,12E,14E,16E,18Z)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexa-2,4-dien-1-ylidene)octadeca-2,4,6,8,10,12,14,16-octaenylidene]cyclohexa-1,3-diene.
What is the SMILES notation for (6Z)-1,5,5-trimethyl-6-[(2E,4E,6E,8E,10E,12E,14E,16E,18Z)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexa-2,4-dien-1-ylidene)octadeca-2,4,6,8,10,12,14,16-octaenylidene]cyclohexa-1,3-diene?
The canonical SMILES for (6Z)-1,5,5-trimethyl-6-[(2E,4E,6E,8E,10E,12E,14E,16E,18Z)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexa-2,4-dien-1-ylidene)octadeca-2,4,6,8,10,12,14,16-octaenylidene]cyclohexa-1,3-diene is CC1=CC=CC(C)(C)/C1=C\C=C(C)\C=C\C=C(C)\C=C\C=C\C(C)=C\C=C\C(C)=C\C=C1\C(C)=CC=CC1(C)C.
What is the InChIKey of (6Z)-1,5,5-trimethyl-6-[(2E,4E,6E,8E,10E,12E,14E,16E,18Z)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexa-2,4-dien-1-ylidene)octadeca-2,4,6,8,10,12,14,16-octaenylidene]cyclohexa-1,3-diene?
The InChIKey is PWZXLDMNUZDPKS-WFVYOHTHSA-N. The full InChI is InChI=1S/C40H50/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-30H,1-10H3/b17-11+,18-12+,21-13+,22-14+,31-19+,32-20+,33-25+,34-26+,37-27-,38-28-.
What are the key properties of (6Z)-1,5,5-trimethyl-6-[(2E,4E,6E,8E,10E,12E,14E,16E,18Z)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexa-2,4-dien-1-ylidene)octadeca-2,4,6,8,10,12,14,16-octaenylidene]cyclohexa-1,3-diene?
(6Z)-1,5,5-trimethyl-6-[(2E,4E,6E,8E,10E,12E,14E,16E,18Z)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexa-2,4-dien-1-ylidene)octadeca-2,4,6,8,10,12,14,16-octaenylidene]cyclohexa-1,3-diene has a molecular weight of 530.84 g/mol, XLogP of 11.93, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-1,5,5-trimethyl-6-[(2E,4E,6E,8E,10E,12E,14E,16E,18Z)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexa-2,4-dien-1-ylidene)octadeca-2,4,6,8,10,12,14,16-octaenylidene]cyclohexa-1,3-diene is sourced from PubChem (CID 177418092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).