1,1,4,6-tetramethyl-5-(2-methylbutan-2-yl)cycloundecane

C20H40 — CID 90907630

IUPAC1,1,4,6-tetramethyl-5-(2-methylbutan-2-yl)cycloundecane
SMILESCCC(C)(C)C1C(C)CCCCCC(C)(C)CCC1C
InChIInChI=1S/C20H40/c1-8-20(6,7)18-16(2)12-10-9-11-14-19(4,5)15-13-17(18)3/h16-18H,8-15H2,1-7H3
InChIKeySUBUMPPEMBQHEL-UHFFFAOYSA-N
MW280.54 g/mol
LogP7.08
Rot. Bonds2

About 1,1,4,6-tetramethyl-5-(2-methylbutan-2-yl)cycloundecane

1,1,4,6-tetramethyl-5-(2-methylbutan-2-yl)cycloundecane (PubChem CID 90907630) has the molecular formula C20H40 and a molecular weight of 280.54 g/mol. Its IUPAC name is 1,1,4,6-tetramethyl-5-(2-methylbutan-2-yl)cycloundecane.

Molecular Properties

Compound Name1,1,4,6-tetramethyl-5-(2-methylbutan-2-yl)cycloundecane
PubChem CID90907630
Molecular FormulaC20H40
Molecular Weight280.54 g/mol
Exact Mass280.31
IUPAC Name1,1,4,6-tetramethyl-5-(2-methylbutan-2-yl)cycloundecane
SMILESCCC(C)(C)C1C(C)CCCCCC(C)(C)CCC1C
InChIInChI=1S/C20H40/c1-8-20(6,7)18-16(2)12-10-9-11-14-19(4,5)15-13-17(18)3/h16-18H,8-15H2,1-7H3
InChIKeySUBUMPPEMBQHEL-UHFFFAOYSA-N
XLogP7.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.54
LogP ≤ 57.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 123608299
1,1,4-trimethylcyclononane
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CID 123809995
1,1,7,7-tetramethylcyclopentadecane
CID 123360096
1,1-dimethylcyclononane
CID 59289773
1,1,5-trimethylcycloundecane
CID 161434950
1,1,5,8-tetramethylcyclotetradecane
CID 143796202
1,1-dimethylcyclohexane;methane
CID 160770296
azane;1,1-dimethylcyclohexane
CID 90411117
cis-(1S,2R)-1,2-dimethylcyclohexane;1,4-dimethylcyclohexa-1,4-diene;3,6-dimethylcyclohexa-1,4-diene;1,1-dimethylcyclohexane;1,4-dimethylcyclohexane;propane
CID 157274744
2,7,7-trimethylcyclooctan-1-amine
CID 167202937
1,1-dimethylcyclohexane;ethane;methane;methylcyclohexane;bis((1-methylcyclohexyl)methanol)
CID 160742592

Frequently Asked Questions

What is the IUPAC name of 1,1,4,6-tetramethyl-5-(2-methylbutan-2-yl)cycloundecane?
The IUPAC name of 1,1,4,6-tetramethyl-5-(2-methylbutan-2-yl)cycloundecane (CID 90907630) is 1,1,4,6-tetramethyl-5-(2-methylbutan-2-yl)cycloundecane.
What is the SMILES notation for 1,1,4,6-tetramethyl-5-(2-methylbutan-2-yl)cycloundecane?
The canonical SMILES for 1,1,4,6-tetramethyl-5-(2-methylbutan-2-yl)cycloundecane is CCC(C)(C)C1C(C)CCCCCC(C)(C)CCC1C.
What is the InChIKey of 1,1,4,6-tetramethyl-5-(2-methylbutan-2-yl)cycloundecane?
The InChIKey is SUBUMPPEMBQHEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40/c1-8-20(6,7)18-16(2)12-10-9-11-14-19(4,5)15-13-17(18)3/h16-18H,8-15H2,1-7H3.
What are the key properties of 1,1,4,6-tetramethyl-5-(2-methylbutan-2-yl)cycloundecane?
1,1,4,6-tetramethyl-5-(2-methylbutan-2-yl)cycloundecane has a molecular weight of 280.54 g/mol, XLogP of 7.08, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,4,6-tetramethyl-5-(2-methylbutan-2-yl)cycloundecane is sourced from PubChem (CID 90907630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).