tetrakis(cyclododecane);1-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-diene

C58H106 — CID 174520599

IUPACtetrakis(cyclododecane);1-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-diene
SMILESC1=CCC(C2=CC=CC2)=C1.C1CCCCCCCCCCC1.C1CCCCCCCCCCC1.C1CCCCCCCCCCC1.C1CCCCCCCCCCC1
InChIInChI=1S/4C12H24.C10H10/c4*1-2-4-6-8-10-12-11-9-7-5-3-1;1-2-6-9(5-1)10-7-3-4-8-10/h4*1-12H2;1-5,7H,6,8H2
InChIKeyHFYHRYOZXRJRTL-UHFFFAOYSA-N
MW803.49 g/mol
LogP21.48
Rot. Bonds1

About tetrakis(cyclododecane);1-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-diene

tetrakis(cyclododecane);1-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-diene (PubChem CID 174520599) has the molecular formula C58H106 and a molecular weight of 803.49 g/mol. Its IUPAC name is tetrakis(cyclododecane);1-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-diene.

Molecular Properties

Compound Nametetrakis(cyclododecane);1-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-diene
PubChem CID174520599
Molecular FormulaC58H106
Molecular Weight803.49 g/mol
Exact Mass802.83
IUPAC Nametetrakis(cyclododecane);1-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-diene
SMILESC1=CCC(C2=CC=CC2)=C1.C1CCCCCCCCCCC1.C1CCCCCCCCCCC1.C1CCCCCCCCCCC1.C1CCCCCCCCCCC1
InChIInChI=1S/4C12H24.C10H10/c4*1-2-4-6-8-10-12-11-9-7-5-3-1;1-2-6-9(5-1)10-7-3-4-8-10/h4*1-12H2;1-5,7H,6,8H2
InChIKeyHFYHRYOZXRJRTL-UHFFFAOYSA-N
XLogP21.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500803.49
LogP ≤ 521.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-diene;nickel(2+)
CID 21161619
lithium;1-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-diene;hydride
CID 173293173
1-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-diene;methanetriol
CID 174485251
benzene;1-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-diene;phenol
CID 174855850
1-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-diene;bis(2-methylprop-2-enoic acid)
CID 174976084
2,3,4,5-tetra(cyclopenta-1,3-dien-1-yl)cyclopenta-2,4-dien-1-one
CID 102081594
1-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-diene;hexa-1,4-diene
CID 174908546
1-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-diene;dibenzothiophene
CID 174827544
cyclopenta-1,3-dien-1-yl-λ2-stannane
CID 173389158
2,4-di(cyclopenta-1,3-dien-1-yl)-6-methyl-1,3,5-triazine
CID 170388285
1-cyclodeca-1,3-dien-1-ylcyclodeca-1,3-diene
CID 54521470
1-cyclopenta-1,3-dien-1-yl-5-propan-2-ylidenecyclohexene
CID 173425674

Frequently Asked Questions

What is the IUPAC name of tetrakis(cyclododecane);1-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-diene?
The IUPAC name of tetrakis(cyclododecane);1-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-diene (CID 174520599) is tetrakis(cyclododecane);1-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-diene.
What is the SMILES notation for tetrakis(cyclododecane);1-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-diene?
The canonical SMILES for tetrakis(cyclododecane);1-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-diene is C1=CCC(C2=CC=CC2)=C1.C1CCCCCCCCCCC1.C1CCCCCCCCCCC1.C1CCCCCCCCCCC1.C1CCCCCCCCCCC1.
What is the InChIKey of tetrakis(cyclododecane);1-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-diene?
The InChIKey is HFYHRYOZXRJRTL-UHFFFAOYSA-N. The full InChI is InChI=1S/4C12H24.C10H10/c4*1-2-4-6-8-10-12-11-9-7-5-3-1;1-2-6-9(5-1)10-7-3-4-8-10/h4*1-12H2;1-5,7H,6,8H2.
What are the key properties of tetrakis(cyclododecane);1-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-diene?
tetrakis(cyclododecane);1-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-diene has a molecular weight of 803.49 g/mol, XLogP of 21.48, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(cyclododecane);1-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-diene is sourced from PubChem (CID 174520599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).