1,1-di(cyclododecyl)propylcyclododecane

C39H74 — CID 91064013

IUPAC1,1-di(cyclododecyl)propylcyclododecane
SMILESCCC(C1CCCCCCCCCCC1)(C1CCCCCCCCCCC1)C1CCCCCCCCCCC1
InChIInChI=1S/C39H74/c1-2-39(36-30-24-18-12-6-3-7-13-19-25-31-36,37-32-26-20-14-8-4-9-15-21-27-33-37)38-34-28-22-16-10-5-11-17-23-29-35-38/h36-38H,2-35H2,1H3
InChIKeyJVGYOAKKMBRCGJ-UHFFFAOYSA-N
MW543.02 g/mol
LogP14.15
Rot. Bonds4

About 1,1-di(cyclododecyl)propylcyclododecane

1,1-di(cyclododecyl)propylcyclododecane (PubChem CID 91064013) has the molecular formula C39H74 and a molecular weight of 543.02 g/mol. Its IUPAC name is 1,1-di(cyclododecyl)propylcyclododecane.

Molecular Properties

Compound Name1,1-di(cyclododecyl)propylcyclododecane
PubChem CID91064013
Molecular FormulaC39H74
Molecular Weight543.02 g/mol
Exact Mass542.58
IUPAC Name1,1-di(cyclododecyl)propylcyclododecane
SMILESCCC(C1CCCCCCCCCCC1)(C1CCCCCCCCCCC1)C1CCCCCCCCCCC1
InChIInChI=1S/C39H74/c1-2-39(36-30-24-18-12-6-3-7-13-19-25-31-36,37-32-26-20-14-8-4-9-15-21-27-33-37)38-34-28-22-16-10-5-11-17-23-29-35-38/h36-38H,2-35H2,1H3
InChIKeyJVGYOAKKMBRCGJ-UHFFFAOYSA-N
XLogP14.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.02
LogP ≤ 514.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,1-di(cyclododecyl)propylcyclododecane?
The IUPAC name of 1,1-di(cyclododecyl)propylcyclododecane (CID 91064013) is 1,1-di(cyclododecyl)propylcyclododecane.
What is the SMILES notation for 1,1-di(cyclododecyl)propylcyclododecane?
The canonical SMILES for 1,1-di(cyclododecyl)propylcyclododecane is CCC(C1CCCCCCCCCCC1)(C1CCCCCCCCCCC1)C1CCCCCCCCCCC1.
What is the InChIKey of 1,1-di(cyclododecyl)propylcyclododecane?
The InChIKey is JVGYOAKKMBRCGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H74/c1-2-39(36-30-24-18-12-6-3-7-13-19-25-31-36,37-32-26-20-14-8-4-9-15-21-27-33-37)38-34-28-22-16-10-5-11-17-23-29-35-38/h36-38H,2-35H2,1H3.
What are the key properties of 1,1-di(cyclododecyl)propylcyclododecane?
1,1-di(cyclododecyl)propylcyclododecane has a molecular weight of 543.02 g/mol, XLogP of 14.15, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-di(cyclododecyl)propylcyclododecane is sourced from PubChem (CID 91064013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).