(3Z,5Z)-1,2,5,6-tetramethyl-3,4,7,8-tetrakis(prop-1-ynyl)cycloocta-1,3,5,7-tetraene

C24H24 — CID 91398367

IUPAC(3Z,5Z)-1,2,5,6-tetramethyl-3,4,7,8-tetrakis(prop-1-ynyl)cycloocta-1,3,5,7-tetraene
SMILESCC#CC1=C(C#CC)/C(C)=C(C)\C(C#CC)=C(\C#CC)C(C)=C1C
InChIInChI=1S/C24H24/c1-9-13-21-17(5)18(6)23(15-11-3)24(16-12-4)20(8)19(7)22(21)14-10-2/h1-8H3/b18-17-,20-19?,21-17-,22-19?,22-21-,23-18?,24-20?,24-23?
InChIKeyLMHOJCKJACBQLX-ZQRLWMJLSA-N
MW312.46 g/mol
LogP5.36
Rot. Bonds

About (3Z,5Z)-1,2,5,6-tetramethyl-3,4,7,8-tetrakis(prop-1-ynyl)cycloocta-1,3,5,7-tetraene

(3Z,5Z)-1,2,5,6-tetramethyl-3,4,7,8-tetrakis(prop-1-ynyl)cycloocta-1,3,5,7-tetraene (PubChem CID 91398367) has the molecular formula C24H24 and a molecular weight of 312.46 g/mol. Its IUPAC name is (3Z,5Z)-1,2,5,6-tetramethyl-3,4,7,8-tetrakis(prop-1-ynyl)cycloocta-1,3,5,7-tetraene.

Molecular Properties

Compound Name(3Z,5Z)-1,2,5,6-tetramethyl-3,4,7,8-tetrakis(prop-1-ynyl)cycloocta-1,3,5,7-tetraene
PubChem CID91398367
Molecular FormulaC24H24
Molecular Weight312.46 g/mol
Exact Mass312.19
IUPAC Name(3Z,5Z)-1,2,5,6-tetramethyl-3,4,7,8-tetrakis(prop-1-ynyl)cycloocta-1,3,5,7-tetraene
SMILESCC#CC1=C(C#CC)/C(C)=C(C)\C(C#CC)=C(\C#CC)C(C)=C1C
InChIInChI=1S/C24H24/c1-9-13-21-17(5)18(6)23(15-11-3)24(16-12-4)20(8)19(7)22(21)14-10-2/h1-8H3/b18-17-,20-19?,21-17-,22-19?,22-21-,23-18?,24-20?,24-23?
InChIKeyLMHOJCKJACBQLX-ZQRLWMJLSA-N
XLogP5.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.46
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3,4-Diethynyl-2,5-dimethylhexa-2,4-diene
CID 154721570
Octamethylcyclooctatetraene
CID 12750030
(4E,6E)-4,5,6,7-tetramethyldeca-4,6-dien-2,8-diyne
CID 12461986
(5E,7E)-2,2,5,6,7,8,11,11-octamethyldodeca-5,7-dien-3,9-diyne
CID 12461987
(5Z,7Z)-2,2,5,6,7,8,11,11-octamethyldodeca-5,7-dien-3,9-diyne
CID 12461988
Octaethynylcyclooctatetraene
CID 100965113
5,6,11,12-Tetra(propan-2-ylidene)cyclododeca-1,3,7,9-tetrayne
CID 154721066
5,6,11,12,17,18-Hexa(propan-2-ylidene)cyclooctadeca-1,3,7,9,13,15-hexayne
CID 154721470
3,12-Diethynyl-2,13-dimethyl-7,8-dimethylidene-4,11-di(propan-2-ylidene)tetradeca-2,12-dien-5,9-diyne
CID 154721471
(E)-5,6-diethyldec-5-en-3,7-diyne
CID 101280147
(1Z,3Z,5Z,7Z)-1,2,4,6-tetramethyl-3,5,7,8-tetrakis(prop-1-ynyl)cycloocta-1,3,5,7-tetraene
CID 22949792
(1Z,3Z,5Z,7Z)-1,2,4,7-tetramethyl-3,5,6,8-tetrakis(prop-1-ynyl)cycloocta-1,3,5,7-tetraene
CID 22949794

Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-1,2,5,6-tetramethyl-3,4,7,8-tetrakis(prop-1-ynyl)cycloocta-1,3,5,7-tetraene?
The IUPAC name of (3Z,5Z)-1,2,5,6-tetramethyl-3,4,7,8-tetrakis(prop-1-ynyl)cycloocta-1,3,5,7-tetraene (CID 91398367) is (3Z,5Z)-1,2,5,6-tetramethyl-3,4,7,8-tetrakis(prop-1-ynyl)cycloocta-1,3,5,7-tetraene.
What is the SMILES notation for (3Z,5Z)-1,2,5,6-tetramethyl-3,4,7,8-tetrakis(prop-1-ynyl)cycloocta-1,3,5,7-tetraene?
The canonical SMILES for (3Z,5Z)-1,2,5,6-tetramethyl-3,4,7,8-tetrakis(prop-1-ynyl)cycloocta-1,3,5,7-tetraene is CC#CC1=C(C#CC)/C(C)=C(C)\C(C#CC)=C(\C#CC)C(C)=C1C.
What is the InChIKey of (3Z,5Z)-1,2,5,6-tetramethyl-3,4,7,8-tetrakis(prop-1-ynyl)cycloocta-1,3,5,7-tetraene?
The InChIKey is LMHOJCKJACBQLX-ZQRLWMJLSA-N. The full InChI is InChI=1S/C24H24/c1-9-13-21-17(5)18(6)23(15-11-3)24(16-12-4)20(8)19(7)22(21)14-10-2/h1-8H3/b18-17-,20-19?,21-17-,22-19?,22-21-,23-18?,24-20?,24-23?.
What are the key properties of (3Z,5Z)-1,2,5,6-tetramethyl-3,4,7,8-tetrakis(prop-1-ynyl)cycloocta-1,3,5,7-tetraene?
(3Z,5Z)-1,2,5,6-tetramethyl-3,4,7,8-tetrakis(prop-1-ynyl)cycloocta-1,3,5,7-tetraene has a molecular weight of 312.46 g/mol, XLogP of 5.36, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-1,2,5,6-tetramethyl-3,4,7,8-tetrakis(prop-1-ynyl)cycloocta-1,3,5,7-tetraene is sourced from PubChem (CID 91398367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).