(2,4,6-trimethylphenyl)cyclododecane

C21H34 — CID 123823481

IUPAC(2,4,6-trimethylphenyl)cyclododecane
SMILESCc1cc(C)c(C2CCCCCCCCCCC2)c(C)c1
InChIInChI=1S/C21H34/c1-17-15-18(2)21(19(3)16-17)20-13-11-9-7-5-4-6-8-10-12-14-20/h15-16,20H,4-14H2,1-3H3
InChIKeyWOGWJPVECZZFAV-UHFFFAOYSA-N
MW286.50 g/mol
LogP7.00
Rot. Bonds1

About (2,4,6-trimethylphenyl)cyclododecane

(2,4,6-trimethylphenyl)cyclododecane (PubChem CID 123823481) has the molecular formula C21H34 and a molecular weight of 286.50 g/mol. Its IUPAC name is (2,4,6-trimethylphenyl)cyclododecane.

Molecular Properties

Compound Name(2,4,6-trimethylphenyl)cyclododecane
PubChem CID123823481
Molecular FormulaC21H34
Molecular Weight286.50 g/mol
Exact Mass286.27
IUPAC Name(2,4,6-trimethylphenyl)cyclododecane
SMILESCc1cc(C)c(C2CCCCCCCCCCC2)c(C)c1
InChIInChI=1S/C21H34/c1-17-15-18(2)21(19(3)16-17)20-13-11-9-7-5-4-6-8-10-12-14-20/h15-16,20H,4-14H2,1-3H3
InChIKeyWOGWJPVECZZFAV-UHFFFAOYSA-N
XLogP7.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.50
LogP ≤ 57.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (2,4,6-trimethylphenyl)cyclododecane?
The IUPAC name of (2,4,6-trimethylphenyl)cyclododecane (CID 123823481) is (2,4,6-trimethylphenyl)cyclododecane.
What is the SMILES notation for (2,4,6-trimethylphenyl)cyclododecane?
The canonical SMILES for (2,4,6-trimethylphenyl)cyclododecane is Cc1cc(C)c(C2CCCCCCCCCCC2)c(C)c1.
What is the InChIKey of (2,4,6-trimethylphenyl)cyclododecane?
The InChIKey is WOGWJPVECZZFAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34/c1-17-15-18(2)21(19(3)16-17)20-13-11-9-7-5-4-6-8-10-12-14-20/h15-16,20H,4-14H2,1-3H3.
What are the key properties of (2,4,6-trimethylphenyl)cyclododecane?
(2,4,6-trimethylphenyl)cyclododecane has a molecular weight of 286.50 g/mol, XLogP of 7.00, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4,6-trimethylphenyl)cyclododecane is sourced from PubChem (CID 123823481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).