(1Z,3Z,5Z,7Z)-1,2,3,4,5,6,7,8-octaethynylcycloocta-1,3,5,7-tetraene

C24H8 — CID 100965113

IUPAC(1Z,3Z,5Z,7Z)-1,2,3,4,5,6,7,8-octaethynylcycloocta-1,3,5,7-tetraene
SMILESC#CC1=C(C#C)/C(C#C)=C(C#C)\C(C#C)=C(C#C)/C(C#C)=C\1C#C
InChIInChI=1S/C24H8/c1-9-17-18(10-2)20(12-4)22(14-6)24(16-8)23(15-7)21(13-5)19(17)11-3/h1-8H/b18-17-,19-17-,20-18-,21-19-,22-20-,23-21-,24-22-,24-23-
InChIKeyMBOUSHZXTWIXFH-VAYXNBRBSA-N
MW296.33 g/mol
LogP2.25
Rot. Bonds

About (1Z,3Z,5Z,7Z)-1,2,3,4,5,6,7,8-octaethynylcycloocta-1,3,5,7-tetraene

(1Z,3Z,5Z,7Z)-1,2,3,4,5,6,7,8-octaethynylcycloocta-1,3,5,7-tetraene (PubChem CID 100965113) has the molecular formula C24H8 and a molecular weight of 296.33 g/mol. Its IUPAC name is (1Z,3Z,5Z,7Z)-1,2,3,4,5,6,7,8-octaethynylcycloocta-1,3,5,7-tetraene.

Molecular Properties

Compound Name(1Z,3Z,5Z,7Z)-1,2,3,4,5,6,7,8-octaethynylcycloocta-1,3,5,7-tetraene
PubChem CID100965113
Molecular FormulaC24H8
Molecular Weight296.33 g/mol
Exact Mass296.06
IUPAC Name(1Z,3Z,5Z,7Z)-1,2,3,4,5,6,7,8-octaethynylcycloocta-1,3,5,7-tetraene
SMILESC#CC1=C(C#C)/C(C#C)=C(C#C)\C(C#C)=C(C#C)/C(C#C)=C\1C#C
InChIInChI=1S/C24H8/c1-9-17-18(10-2)20(12-4)22(14-6)24(16-8)23(15-7)21(13-5)19(17)11-3/h1-8H/b18-17-,19-17-,20-18-,21-19-,22-20-,23-21-,24-22-,24-23-
InChIKeyMBOUSHZXTWIXFH-VAYXNBRBSA-N
XLogP2.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (1Z,3Z,5Z,7Z)-1,2,3,4,5,6,7,8-octaethynylcycloocta-1,3,5,7-tetraene with MolForge

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Related Compounds

3,4-Diethynyl-2,5-dimethylhexa-2,4-diene
CID 154721570
1,2,3,4-Tetraethynylcyclobuta-1,3-diene
CID 15827042
5,6,11,12-Tetra(propan-2-ylidene)cyclododeca-1,3,7,9-tetrayne
CID 154721066
3,12-Diethynyl-2,13-dimethyl-7,8-dimethylidene-4,11-di(propan-2-ylidene)tetradeca-2,12-dien-5,9-diyne
CID 154721471
(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
(1Z,3Z,5Z,7Z)-1,2,5,6-tetramethyl-3,4,7,8-tetrakis(prop-1-ynyl)cycloocta-1,3,5,7-tetraene
CID 22949795
(1Z,3Z,5Z,7Z)-1,3,5,7-tetramethyl-2,4,6,8-tetrakis(prop-1-ynyl)cycloocta-1,3,5,7-tetraene
CID 22949796
(3Z,5Z)-1,2,4,7-tetramethyl-3,5,6,8-tetrakis(prop-1-ynyl)cycloocta-1,3,5,7-tetraene
CID 91342041
(3Z,5Z)-1,2,5,6-tetramethyl-3,4,7,8-tetrakis(prop-1-ynyl)cycloocta-1,3,5,7-tetraene
CID 91398367
but-2-yne;(3Z,5Z)-1,2,3,4,5,6,7,8-octamethylcycloocta-1,3,5,7-tetraene
CID 162199007
(17E)-18-heptadeca-1,3,5,7,9,11,13,15-octaynyl-17-hexadeca-1,3,5,7,9,11,13,15-octaynyl-16-trideca-1,3,5,7,9,11-hexaynylheptatriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,17-hexadecaen-19,21,23,25,27,29,31,33,35-nonayne
CID 170937975

Frequently Asked Questions

What is the IUPAC name of (1Z,3Z,5Z,7Z)-1,2,3,4,5,6,7,8-octaethynylcycloocta-1,3,5,7-tetraene?
The IUPAC name of (1Z,3Z,5Z,7Z)-1,2,3,4,5,6,7,8-octaethynylcycloocta-1,3,5,7-tetraene (CID 100965113) is (1Z,3Z,5Z,7Z)-1,2,3,4,5,6,7,8-octaethynylcycloocta-1,3,5,7-tetraene.
What is the SMILES notation for (1Z,3Z,5Z,7Z)-1,2,3,4,5,6,7,8-octaethynylcycloocta-1,3,5,7-tetraene?
The canonical SMILES for (1Z,3Z,5Z,7Z)-1,2,3,4,5,6,7,8-octaethynylcycloocta-1,3,5,7-tetraene is C#CC1=C(C#C)/C(C#C)=C(C#C)\C(C#C)=C(C#C)/C(C#C)=C\1C#C.
What is the InChIKey of (1Z,3Z,5Z,7Z)-1,2,3,4,5,6,7,8-octaethynylcycloocta-1,3,5,7-tetraene?
The InChIKey is MBOUSHZXTWIXFH-VAYXNBRBSA-N. The full InChI is InChI=1S/C24H8/c1-9-17-18(10-2)20(12-4)22(14-6)24(16-8)23(15-7)21(13-5)19(17)11-3/h1-8H/b18-17-,19-17-,20-18-,21-19-,22-20-,23-21-,24-22-,24-23-.
What are the key properties of (1Z,3Z,5Z,7Z)-1,2,3,4,5,6,7,8-octaethynylcycloocta-1,3,5,7-tetraene?
(1Z,3Z,5Z,7Z)-1,2,3,4,5,6,7,8-octaethynylcycloocta-1,3,5,7-tetraene has a molecular weight of 296.33 g/mol, XLogP of 2.25, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z,5Z,7Z)-1,2,3,4,5,6,7,8-octaethynylcycloocta-1,3,5,7-tetraene is sourced from PubChem (CID 100965113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).