5,6,11,12,17,18-hexa(propan-2-ylidene)cyclooctadeca-1,3,7,9,13,15-hexayne

C36H36 — CID 154721470

IUPAC5,6,11,12,17,18-hexa(propan-2-ylidene)cyclooctadeca-1,3,7,9,13,15-hexayne
SMILESCC(C)=c1c#cc#cc(=C(C)C)c(=C(C)C)c#cc#cc(=C(C)C)c(=C(C)C)c#cc#cc1=C(C)C
InChIInChI=1S/C36H36/c1-25(2)31-19-13-14-21-33(27(5)6)35(29(9)10)23-17-18-24-36(30(11)12)34(28(7)8)22-16-15-20-32(31)26(3)4/h1-12H3
InChIKeyZVYCAXLFAWTZGK-UHFFFAOYSA-N
MW468.68 g/mol
LogP3.81
Rot. Bonds

About 5,6,11,12,17,18-hexa(propan-2-ylidene)cyclooctadeca-1,3,7,9,13,15-hexayne

5,6,11,12,17,18-hexa(propan-2-ylidene)cyclooctadeca-1,3,7,9,13,15-hexayne (PubChem CID 154721470) has the molecular formula C36H36 and a molecular weight of 468.68 g/mol. Its IUPAC name is 5,6,11,12,17,18-hexa(propan-2-ylidene)cyclooctadeca-1,3,7,9,13,15-hexayne.

Molecular Properties

Compound Name5,6,11,12,17,18-hexa(propan-2-ylidene)cyclooctadeca-1,3,7,9,13,15-hexayne
PubChem CID154721470
Molecular FormulaC36H36
Molecular Weight468.68 g/mol
Exact Mass468.28
IUPAC Name5,6,11,12,17,18-hexa(propan-2-ylidene)cyclooctadeca-1,3,7,9,13,15-hexayne
SMILESCC(C)=c1c#cc#cc(=C(C)C)c(=C(C)C)c#cc#cc(=C(C)C)c(=C(C)C)c#cc#cc1=C(C)C
InChIInChI=1S/C36H36/c1-25(2)31-19-13-14-21-33(27(5)6)35(29(9)10)23-17-18-24-36(30(11)12)34(28(7)8)22-16-15-20-32(31)26(3)4/h1-12H3
InChIKeyZVYCAXLFAWTZGK-UHFFFAOYSA-N
XLogP3.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.68
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(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
(6E,10E,14E)-6,7,10,11,14,15-hexaethyl-3,18-dimethylideneicosa-6,10,14-trien-4,8,12,16-tetrayne
CID 135030373
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
CID 91142796
CID 91142796
(3Z,5Z)-1,2,4,7-tetramethyl-3,5,6,8-tetrakis(prop-1-ynyl)cycloocta-1,3,5,7-tetraene
CID 91342041

Frequently Asked Questions

What is the IUPAC name of 5,6,11,12,17,18-hexa(propan-2-ylidene)cyclooctadeca-1,3,7,9,13,15-hexayne?
The IUPAC name of 5,6,11,12,17,18-hexa(propan-2-ylidene)cyclooctadeca-1,3,7,9,13,15-hexayne (CID 154721470) is 5,6,11,12,17,18-hexa(propan-2-ylidene)cyclooctadeca-1,3,7,9,13,15-hexayne.
What is the SMILES notation for 5,6,11,12,17,18-hexa(propan-2-ylidene)cyclooctadeca-1,3,7,9,13,15-hexayne?
The canonical SMILES for 5,6,11,12,17,18-hexa(propan-2-ylidene)cyclooctadeca-1,3,7,9,13,15-hexayne is CC(C)=c1c#cc#cc(=C(C)C)c(=C(C)C)c#cc#cc(=C(C)C)c(=C(C)C)c#cc#cc1=C(C)C.
What is the InChIKey of 5,6,11,12,17,18-hexa(propan-2-ylidene)cyclooctadeca-1,3,7,9,13,15-hexayne?
The InChIKey is ZVYCAXLFAWTZGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H36/c1-25(2)31-19-13-14-21-33(27(5)6)35(29(9)10)23-17-18-24-36(30(11)12)34(28(7)8)22-16-15-20-32(31)26(3)4/h1-12H3.
What are the key properties of 5,6,11,12,17,18-hexa(propan-2-ylidene)cyclooctadeca-1,3,7,9,13,15-hexayne?
5,6,11,12,17,18-hexa(propan-2-ylidene)cyclooctadeca-1,3,7,9,13,15-hexayne has a molecular weight of 468.68 g/mol, XLogP of 3.81, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,11,12,17,18-hexa(propan-2-ylidene)cyclooctadeca-1,3,7,9,13,15-hexayne is sourced from PubChem (CID 154721470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).