1,5,9,13,17,21-hexamethylcyclotetracosane

C30H60 — CID 164675975

IUPAC1,5,9,13,17,21-hexamethylcyclotetracosane
SMILESCC1CCCC(C)CCCC(C)CCCC(C)CCCC(C)CCCC(C)CCC1
InChIInChI=1S/C30H60/c1-25-13-7-15-26(2)17-9-19-28(4)21-11-23-30(6)24-12-22-29(5)20-10-18-27(3)16-8-14-25/h25-30H,7-24H2,1-6H3
InChIKeyPAHXNXPTRVYLJZ-UHFFFAOYSA-N
MW420.81 g/mol
LogP10.84
Rot. Bonds

About 1,5,9,13,17,21-hexamethylcyclotetracosane

1,5,9,13,17,21-hexamethylcyclotetracosane (PubChem CID 164675975) has the molecular formula C30H60 and a molecular weight of 420.81 g/mol. Its IUPAC name is 1,5,9,13,17,21-hexamethylcyclotetracosane.

Molecular Properties

Compound Name1,5,9,13,17,21-hexamethylcyclotetracosane
PubChem CID164675975
Molecular FormulaC30H60
Molecular Weight420.81 g/mol
Exact Mass420.47
IUPAC Name1,5,9,13,17,21-hexamethylcyclotetracosane
SMILESCC1CCCC(C)CCCC(C)CCCC(C)CCCC(C)CCCC(C)CCC1
InChIInChI=1S/C30H60/c1-25-13-7-15-26(2)17-9-19-28(4)21-11-23-30(6)24-12-22-29(5)20-10-18-27(3)16-8-14-25/h25-30H,7-24H2,1-6H3
InChIKeyPAHXNXPTRVYLJZ-UHFFFAOYSA-N
XLogP10.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.81
LogP ≤ 510.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

methylcyclobutane;tetrakis(methylcyclopentane)
CID 160836928
cyclooctane;methylcyclobutane
CID 159456217
methylcyclopentane
CID 7296
cyclobutane;cyclopropane;methylcyclobutane
CID 157419563
methane;methylcyclobutane;methylcyclohexane;methylcyclopentane
CID 159112389
1,6-dimethylcycloundecane
CID 91298161
cyclobutane;cyclopropane;ethane;methylcyclobutane
CID 159641047
erbium;tris(methylcyclopentane)
CID 91996115
cyclobutane;ethane;methylcyclobutane
CID 158121682
CID 158187464
CID 158187464
cyclohexane;methylcyclopentane
CID 20788572
1,4-dimethylcycloheptane;1,4-dimethylcyclohexane;methane;methylcyclohexane
CID 161210516

Frequently Asked Questions

What is the IUPAC name of 1,5,9,13,17,21-hexamethylcyclotetracosane?
The IUPAC name of 1,5,9,13,17,21-hexamethylcyclotetracosane (CID 164675975) is 1,5,9,13,17,21-hexamethylcyclotetracosane.
What is the SMILES notation for 1,5,9,13,17,21-hexamethylcyclotetracosane?
The canonical SMILES for 1,5,9,13,17,21-hexamethylcyclotetracosane is CC1CCCC(C)CCCC(C)CCCC(C)CCCC(C)CCCC(C)CCC1.
What is the InChIKey of 1,5,9,13,17,21-hexamethylcyclotetracosane?
The InChIKey is PAHXNXPTRVYLJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H60/c1-25-13-7-15-26(2)17-9-19-28(4)21-11-23-30(6)24-12-22-29(5)20-10-18-27(3)16-8-14-25/h25-30H,7-24H2,1-6H3.
What are the key properties of 1,5,9,13,17,21-hexamethylcyclotetracosane?
1,5,9,13,17,21-hexamethylcyclotetracosane has a molecular weight of 420.81 g/mol, XLogP of 10.84, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5,9,13,17,21-hexamethylcyclotetracosane is sourced from PubChem (CID 164675975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).