1,1,3,3-tetra(cyclopentadecyl)prop-1-en-2-ylcyclopentadecane

C78H146 — CID 141336114

IUPAC1,1,3,3-tetra(cyclopentadecyl)prop-1-en-2-ylcyclopentadecane
SMILESC1CCCCCCCC(C(=C(C2CCCCCCCCCCCCCC2)C(C2CCCCCCCCCCCCCC2)C2CCCCCCCCCCCCCC2)C2CCCCCCCCCCCCCC2)CCCCCC1
InChIInChI=1S/C78H146/c1-2-12-22-32-42-52-62-71(61-51-41-31-21-11-1)76(72-63-53-43-33-23-13-3-4-14-24-34-44-54-64-72)78(75-69-59-49-39-29-19-9-10-20-30-40-50-60-70-75)77(73-65-55-45-35-25-15-5-6-16-26-36-46-56-66-73)74-67-57-47-37-27-17-7-8-18-28-38-48-58-68-74/h71-76H,1-70H2
InChIKeyBMWDDXYTMJNAHU-UHFFFAOYSA-N
MW1084.03 g/mol
LogP28.36
Rot. Bonds6

About 1,1,3,3-tetra(cyclopentadecyl)prop-1-en-2-ylcyclopentadecane

1,1,3,3-tetra(cyclopentadecyl)prop-1-en-2-ylcyclopentadecane (PubChem CID 141336114) has the molecular formula C78H146 and a molecular weight of 1084.03 g/mol. Its IUPAC name is 1,1,3,3-tetra(cyclopentadecyl)prop-1-en-2-ylcyclopentadecane.

Molecular Properties

Compound Name1,1,3,3-tetra(cyclopentadecyl)prop-1-en-2-ylcyclopentadecane
PubChem CID141336114
Molecular FormulaC78H146
Molecular Weight1084.03 g/mol
Exact Mass1083.14
IUPAC Name1,1,3,3-tetra(cyclopentadecyl)prop-1-en-2-ylcyclopentadecane
SMILESC1CCCCCCCC(C(=C(C2CCCCCCCCCCCCCC2)C(C2CCCCCCCCCCCCCC2)C2CCCCCCCCCCCCCC2)C2CCCCCCCCCCCCCC2)CCCCCC1
InChIInChI=1S/C78H146/c1-2-12-22-32-42-52-62-71(61-51-41-31-21-11-1)76(72-63-53-43-33-23-13-3-4-14-24-34-44-54-64-72)78(75-69-59-49-39-29-19-9-10-20-30-40-50-60-70-75)77(73-65-55-45-35-25-15-5-6-16-26-36-46-56-66-73)74-67-57-47-37-27-17-7-8-18-28-38-48-58-68-74/h71-76H,1-70H2
InChIKeyBMWDDXYTMJNAHU-UHFFFAOYSA-N
XLogP28.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001084.03
LogP ≤ 528.36
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

1-cyclohexyl-2-cyclopentylethane-1,2-diol
CID 103459295
3,3-di(cyclodecyl)-2-[cyclodecyl(fluoro)methyl]prop-2-enoic acid
CID 140669431
cyclohexyl(hydroxy)methanesulfonic acid
CID 24965327
2,3,3-tri(cyclodecyl)prop-2-enoic acid
CID 19602211
(1R)-1-cyclohexylethane-1,2-diol
CID 11789331
alpha-Hydroxy-cyclohexanemethanesulfonic acid sodium salt
CID 71748844
1,2,2-tricyclohexylethylcyclohexane
CID 59850833
di(cyclohexadecyl)methylcyclohexadecane
CID 175406938
1,2,2-tricyclohexylethenylphosphanium bromide
CID 160745709
1-cyclohexylethanethione
CID 13294348
cyclooctyl(cyclopropyl)methanol
CID 80603317
sodium cycloheptyl(hydroxy)methanesulfonate
CID 103574480

Frequently Asked Questions

What is the IUPAC name of 1,1,3,3-tetra(cyclopentadecyl)prop-1-en-2-ylcyclopentadecane?
The IUPAC name of 1,1,3,3-tetra(cyclopentadecyl)prop-1-en-2-ylcyclopentadecane (CID 141336114) is 1,1,3,3-tetra(cyclopentadecyl)prop-1-en-2-ylcyclopentadecane.
What is the SMILES notation for 1,1,3,3-tetra(cyclopentadecyl)prop-1-en-2-ylcyclopentadecane?
The canonical SMILES for 1,1,3,3-tetra(cyclopentadecyl)prop-1-en-2-ylcyclopentadecane is C1CCCCCCCC(C(=C(C2CCCCCCCCCCCCCC2)C(C2CCCCCCCCCCCCCC2)C2CCCCCCCCCCCCCC2)C2CCCCCCCCCCCCCC2)CCCCCC1.
What is the InChIKey of 1,1,3,3-tetra(cyclopentadecyl)prop-1-en-2-ylcyclopentadecane?
The InChIKey is BMWDDXYTMJNAHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H146/c1-2-12-22-32-42-52-62-71(61-51-41-31-21-11-1)76(72-63-53-43-33-23-13-3-4-14-24-34-44-54-64-72)78(75-69-59-49-39-29-19-9-10-20-30-40-50-60-70-75)77(73-65-55-45-35-25-15-5-6-16-26-36-46-56-66-73)74-67-57-47-37-27-17-7-8-18-28-38-48-58-68-74/h71-76H,1-70H2.
What are the key properties of 1,1,3,3-tetra(cyclopentadecyl)prop-1-en-2-ylcyclopentadecane?
1,1,3,3-tetra(cyclopentadecyl)prop-1-en-2-ylcyclopentadecane has a molecular weight of 1084.03 g/mol, XLogP of 28.36, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3,3-tetra(cyclopentadecyl)prop-1-en-2-ylcyclopentadecane is sourced from PubChem (CID 141336114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).