13-(13-bicyclo[10.1.0]tridecanylidene)bicyclo[10.1.0]tridecane

C26H44 — CID 543488

IUPAC13-(13-bicyclo[10.1.0]tridecanylidene)bicyclo[10.1.0]tridecane
SMILESC1CCCCCC2C(=C3C4CCCCCCCCCCC34)C2CCCC1
InChIInChI=1S/C26H44/c1-2-6-10-14-18-22-21(17-13-9-5-1)25(22)26-23-19-15-11-7-3-4-8-12-16-20-24(23)26/h21-24H,1-20H2
InChIKeySIQVTQCLJGYWDN-UHFFFAOYSA-N
MW356.64 g/mol
LogP8.60
Rot. Bonds

About 13-(13-bicyclo[10.1.0]tridecanylidene)bicyclo[10.1.0]tridecane

13-(13-bicyclo[10.1.0]tridecanylidene)bicyclo[10.1.0]tridecane (PubChem CID 543488) has the molecular formula C26H44 and a molecular weight of 356.64 g/mol. Its IUPAC name is 13-(13-bicyclo[10.1.0]tridecanylidene)bicyclo[10.1.0]tridecane.

Molecular Properties

Compound Name13-(13-bicyclo[10.1.0]tridecanylidene)bicyclo[10.1.0]tridecane
PubChem CID543488
Molecular FormulaC26H44
Molecular Weight356.64 g/mol
Exact Mass356.34
IUPAC Name13-(13-bicyclo[10.1.0]tridecanylidene)bicyclo[10.1.0]tridecane
SMILESC1CCCCCC2C(=C3C4CCCCCCCCCCC34)C2CCCC1
InChIInChI=1S/C26H44/c1-2-6-10-14-18-22-21(17-13-9-5-1)25(22)26-23-19-15-11-7-3-4-8-12-16-20-24(23)26/h21-24H,1-20H2
InChIKeySIQVTQCLJGYWDN-UHFFFAOYSA-N
XLogP8.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.64
LogP ≤ 58.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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(1S)-1-(3-methylbut-2-enyl)-2-[2-[(1R,2R)-2-[(8E)-4,9,13,17-tetramethyloctadeca-8,16-dienyl]cyclopropyl]ethyl]cyclopropane
CID 166593951
12-Hexaspiro[2.0.0.0.26.0.29.05.14.0.213.03]pentadecan-12-ylidenehexaspiro[2.0.0.0.26.0.29.05.14.0.213.03]pentadecane
CID 101057423
1,2-Dicyclopropylcyclopropene
CID 129652612
(4S,5S,6S,7S,8S,9E)-9-[(4S,5S,6S,7S,8S)-hexaspiro[2.0.0.0.0.0.28.17.16.15.14.13]pentadecan-9-ylidene]hexaspiro[2.0.0.0.0.0.28.17.16.15.14.13]pentadecane
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CID 21546022
8-Methyl-5,6-dipropylundec-5-ene
CID 54405504
(E)-2,5,8-trimethyl-6-propyldec-5-ene
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Frequently Asked Questions

What is the IUPAC name of 13-(13-bicyclo[10.1.0]tridecanylidene)bicyclo[10.1.0]tridecane?
The IUPAC name of 13-(13-bicyclo[10.1.0]tridecanylidene)bicyclo[10.1.0]tridecane (CID 543488) is 13-(13-bicyclo[10.1.0]tridecanylidene)bicyclo[10.1.0]tridecane.
What is the SMILES notation for 13-(13-bicyclo[10.1.0]tridecanylidene)bicyclo[10.1.0]tridecane?
The canonical SMILES for 13-(13-bicyclo[10.1.0]tridecanylidene)bicyclo[10.1.0]tridecane is C1CCCCCC2C(=C3C4CCCCCCCCCCC34)C2CCCC1.
What is the InChIKey of 13-(13-bicyclo[10.1.0]tridecanylidene)bicyclo[10.1.0]tridecane?
The InChIKey is SIQVTQCLJGYWDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H44/c1-2-6-10-14-18-22-21(17-13-9-5-1)25(22)26-23-19-15-11-7-3-4-8-12-16-20-24(23)26/h21-24H,1-20H2.
What are the key properties of 13-(13-bicyclo[10.1.0]tridecanylidene)bicyclo[10.1.0]tridecane?
13-(13-bicyclo[10.1.0]tridecanylidene)bicyclo[10.1.0]tridecane has a molecular weight of 356.64 g/mol, XLogP of 8.60, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 13-(13-bicyclo[10.1.0]tridecanylidene)bicyclo[10.1.0]tridecane is sourced from PubChem (CID 543488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).