1,1-di(cyclodecyl)but-2-enylcyclodecane

C34H62 — CID 140978091

IUPAC1,1-di(cyclodecyl)but-2-enylcyclodecane
SMILESCC=CC(C1CCCCCCCCC1)(C1CCCCCCCCC1)C1CCCCCCCCC1
InChIInChI=1S/C34H62/c1-2-30-34(31-24-18-12-6-3-7-13-19-25-31,32-26-20-14-8-4-9-15-21-27-32)33-28-22-16-10-5-11-17-23-29-33/h2,30-33H,3-29H2,1H3
InChIKeyYYHSGVFIEHSGMP-UHFFFAOYSA-N
MW470.87 g/mol
LogP11.97
Rot. Bonds4

About 1,1-di(cyclodecyl)but-2-enylcyclodecane

1,1-di(cyclodecyl)but-2-enylcyclodecane (PubChem CID 140978091) has the molecular formula C34H62 and a molecular weight of 470.87 g/mol. Its IUPAC name is 1,1-di(cyclodecyl)but-2-enylcyclodecane.

Molecular Properties

Compound Name1,1-di(cyclodecyl)but-2-enylcyclodecane
PubChem CID140978091
Molecular FormulaC34H62
Molecular Weight470.87 g/mol
Exact Mass470.49
IUPAC Name1,1-di(cyclodecyl)but-2-enylcyclodecane
SMILESCC=CC(C1CCCCCCCCC1)(C1CCCCCCCCC1)C1CCCCCCCCC1
InChIInChI=1S/C34H62/c1-2-30-34(31-24-18-12-6-3-7-13-19-25-31,32-26-20-14-8-4-9-15-21-27-32)33-28-22-16-10-5-11-17-23-29-33/h2,30-33H,3-29H2,1H3
InChIKeyYYHSGVFIEHSGMP-UHFFFAOYSA-N
XLogP11.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.87
LogP ≤ 511.97
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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[(E)-prop-1-enoxy]cyclododecane
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1,1-difluoroprop-2-enylcyclohexane
CID 67843312
2,3-dicyclohexylbutane-2,3-diol
CID 50741678
cyclodecyl(iodo)methanediamine
CID 156528266
(4-cyclohexyl-2,3,3,4-tetramethylpentan-2-yl)cyclohexane
CID 20659537
prop-1-enylcyclododecane
CID 139760926
1-cyclooctylethane-1,1-diol
CID 22410754
CID 173025587
CID 173025587
2-cyclononadecylpropan-2-ol
CID 126587376
tert-butylcyclobutane;tert-butylcyclohexane;ethane
CID 167597631

Frequently Asked Questions

What is the IUPAC name of 1,1-di(cyclodecyl)but-2-enylcyclodecane?
The IUPAC name of 1,1-di(cyclodecyl)but-2-enylcyclodecane (CID 140978091) is 1,1-di(cyclodecyl)but-2-enylcyclodecane.
What is the SMILES notation for 1,1-di(cyclodecyl)but-2-enylcyclodecane?
The canonical SMILES for 1,1-di(cyclodecyl)but-2-enylcyclodecane is CC=CC(C1CCCCCCCCC1)(C1CCCCCCCCC1)C1CCCCCCCCC1.
What is the InChIKey of 1,1-di(cyclodecyl)but-2-enylcyclodecane?
The InChIKey is YYHSGVFIEHSGMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H62/c1-2-30-34(31-24-18-12-6-3-7-13-19-25-31,32-26-20-14-8-4-9-15-21-27-32)33-28-22-16-10-5-11-17-23-29-33/h2,30-33H,3-29H2,1H3.
What are the key properties of 1,1-di(cyclodecyl)but-2-enylcyclodecane?
1,1-di(cyclodecyl)but-2-enylcyclodecane has a molecular weight of 470.87 g/mol, XLogP of 11.97, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-di(cyclodecyl)but-2-enylcyclodecane is sourced from PubChem (CID 140978091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).