1,1,4,8-tetramethylcycloundecane

C15H30 — CID 5318100

IUPAC1,1,4,8-tetramethylcycloundecane
SMILESCC1CCCC(C)CCC(C)(C)CCC1
InChIInChI=1S/C15H30/c1-13-7-5-8-14(2)10-12-15(3,4)11-6-9-13/h13-14H,5-12H2,1-4H3
InChIKeyUTJJFHJHTZKQSW-UHFFFAOYSA-N
MW210.40 g/mol
LogP5.42
Rot. Bonds

About 1,1,4,8-tetramethylcycloundecane

1,1,4,8-tetramethylcycloundecane (PubChem CID 5318100) has the molecular formula C15H30 and a molecular weight of 210.40 g/mol. Its IUPAC name is 1,1,4,8-tetramethylcycloundecane.

Molecular Properties

Compound Name1,1,4,8-tetramethylcycloundecane
PubChem CID5318100
Molecular FormulaC15H30
Molecular Weight210.40 g/mol
Exact Mass210.23
IUPAC Name1,1,4,8-tetramethylcycloundecane
SMILESCC1CCCC(C)CCC(C)(C)CCC1
InChIInChI=1S/C15H30/c1-13-7-5-8-14(2)10-12-15(3,4)11-6-9-13/h13-14H,5-12H2,1-4H3
InChIKeyUTJJFHJHTZKQSW-UHFFFAOYSA-N
XLogP5.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500210.40
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,1,4,8-tetramethylcycloundecane?
The IUPAC name of 1,1,4,8-tetramethylcycloundecane (CID 5318100) is 1,1,4,8-tetramethylcycloundecane.
What is the SMILES notation for 1,1,4,8-tetramethylcycloundecane?
The canonical SMILES for 1,1,4,8-tetramethylcycloundecane is CC1CCCC(C)CCC(C)(C)CCC1.
What is the InChIKey of 1,1,4,8-tetramethylcycloundecane?
The InChIKey is UTJJFHJHTZKQSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30/c1-13-7-5-8-14(2)10-12-15(3,4)11-6-9-13/h13-14H,5-12H2,1-4H3.
What are the key properties of 1,1,4,8-tetramethylcycloundecane?
1,1,4,8-tetramethylcycloundecane has a molecular weight of 210.40 g/mol, XLogP of 5.42, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,4,8-tetramethylcycloundecane is sourced from PubChem (CID 5318100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).