1,1,2,2,5,5,6,6-octamethyl-7,8-bis(3-methylbuta-1,2-dienylidene)dispiro[2.0.24.23]octane

C26H36 — CID 12706186

IUPAC1,1,2,2,5,5,6,6-octamethyl-7,8-bis(3-methylbuta-1,2-dienylidene)dispiro[2.0.24.23]octane
SMILESCC(C)=C=C=C1C(=C=C=C(C)C)C2(C(C)(C)C2(C)C)C12C(C)(C)C2(C)C
InChIInChI=1S/C26H36/c1-17(2)13-15-19-20(16-14-18(3)4)26(23(9,10)24(26,11)12)25(19)21(5,6)22(25,7)8/h1-12H3
InChIKeyKKNCOYOPUUSQQN-UHFFFAOYSA-N
MW348.57 g/mol
LogP7.40
Rot. Bonds

About 1,1,2,2,5,5,6,6-octamethyl-7,8-bis(3-methylbuta-1,2-dienylidene)dispiro[2.0.24.23]octane

1,1,2,2,5,5,6,6-octamethyl-7,8-bis(3-methylbuta-1,2-dienylidene)dispiro[2.0.24.23]octane (PubChem CID 12706186) has the molecular formula C26H36 and a molecular weight of 348.57 g/mol. Its IUPAC name is 1,1,2,2,5,5,6,6-octamethyl-7,8-bis(3-methylbuta-1,2-dienylidene)dispiro[2.0.24.23]octane.

Molecular Properties

Compound Name1,1,2,2,5,5,6,6-octamethyl-7,8-bis(3-methylbuta-1,2-dienylidene)dispiro[2.0.24.23]octane
PubChem CID12706186
Molecular FormulaC26H36
Molecular Weight348.57 g/mol
Exact Mass348.28
IUPAC Name1,1,2,2,5,5,6,6-octamethyl-7,8-bis(3-methylbuta-1,2-dienylidene)dispiro[2.0.24.23]octane
SMILESCC(C)=C=C=C1C(=C=C=C(C)C)C2(C(C)(C)C2(C)C)C12C(C)(C)C2(C)C
InChIInChI=1S/C26H36/c1-17(2)13-15-19-20(16-14-18(3)4)26(23(9,10)24(26,11)12)25(19)21(5,6)22(25,7)8/h1-12H3
InChIKeyKKNCOYOPUUSQQN-UHFFFAOYSA-N
XLogP7.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.57
LogP ≤ 57.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

Dimethylidenedispiro[2.5.2.7]octadecane
CID 129815869
Dimethylidenedispiro[2.6.2.6]octadecane
CID 129815934
trans-(1R,2R)-1-[[(1R,2S)-1,2-dimethyl-2-(3-methylbut-3-enyl)cyclopropyl]methyl]-1,2-dimethyl-2-[[(1R)-1,2,2-trimethylcyclopropyl]methyl]cyclopropane
CID 134865182
15,16-Bis(dispiro[2.0.2.1]hept-7-ylidene)hexaspiro[2.0.2.0.0.0. 2.0.2.0.2.0]hexadecane
CID 139053800
5-Ethyl-2-[7-(1-ethyl-2-methylcyclopropyl)hepta-2,3-dien-2-yl]spiro[2.2]pentane
CID 90692248
1-Ethyl-4-(3-ethyl-3-methylpent-4-en-2-yl)-2,3-dimethyl-2-propan-2-ylbicyclo[1.1.0]butane
CID 90871748
2,2-Dimethyl-1-(2-methylpropyl)-4-oct-1-en-2-ylbicyclo[1.1.0]butane
CID 91125535
2'-(2,3-Dimethylpent-2-enyl)-4-propan-2-ylspiro[bicyclo[1.1.0]butane-2,1'-cyclopropane]
CID 91245081
1,5-Dimethyl-6-(2-methylprop-2-enyl)-2-[1-[2-[3-(2-pentan-2-ylcyclopropyl)butan-2-yl]cyclopropyl]ethyl]spiro[2.3]hexane
CID 91246238
CID 91355583
CID 91355583
2-(4,4-Dimethylpent-1-en-2-yl)-4-(3-methyl-2-propylpentyl)bicyclo[1.1.0]butane
CID 91369955
1-Ethyl-1,2-dimethyl-2-[3-methyl-5-[2-methyl-2-(3-methylbutan-2-yl)cyclopropyl]pent-1-en-2-yl]cyclopropane
CID 91383260

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,5,5,6,6-octamethyl-7,8-bis(3-methylbuta-1,2-dienylidene)dispiro[2.0.24.23]octane?
The IUPAC name of 1,1,2,2,5,5,6,6-octamethyl-7,8-bis(3-methylbuta-1,2-dienylidene)dispiro[2.0.24.23]octane (CID 12706186) is 1,1,2,2,5,5,6,6-octamethyl-7,8-bis(3-methylbuta-1,2-dienylidene)dispiro[2.0.24.23]octane.
What is the SMILES notation for 1,1,2,2,5,5,6,6-octamethyl-7,8-bis(3-methylbuta-1,2-dienylidene)dispiro[2.0.24.23]octane?
The canonical SMILES for 1,1,2,2,5,5,6,6-octamethyl-7,8-bis(3-methylbuta-1,2-dienylidene)dispiro[2.0.24.23]octane is CC(C)=C=C=C1C(=C=C=C(C)C)C2(C(C)(C)C2(C)C)C12C(C)(C)C2(C)C.
What is the InChIKey of 1,1,2,2,5,5,6,6-octamethyl-7,8-bis(3-methylbuta-1,2-dienylidene)dispiro[2.0.24.23]octane?
The InChIKey is KKNCOYOPUUSQQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36/c1-17(2)13-15-19-20(16-14-18(3)4)26(23(9,10)24(26,11)12)25(19)21(5,6)22(25,7)8/h1-12H3.
What are the key properties of 1,1,2,2,5,5,6,6-octamethyl-7,8-bis(3-methylbuta-1,2-dienylidene)dispiro[2.0.24.23]octane?
1,1,2,2,5,5,6,6-octamethyl-7,8-bis(3-methylbuta-1,2-dienylidene)dispiro[2.0.24.23]octane has a molecular weight of 348.57 g/mol, XLogP of 7.40, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,5,5,6,6-octamethyl-7,8-bis(3-methylbuta-1,2-dienylidene)dispiro[2.0.24.23]octane is sourced from PubChem (CID 12706186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).