1-ethyl-1,6-dimethyl-6-(3-methylbutyl)cycloundecane

C20H40 — CID 91393597

IUPAC1-ethyl-1,6-dimethyl-6-(3-methylbutyl)cycloundecane
SMILESCCC1(C)CCCCCC(C)(CCC(C)C)CCCC1
InChIInChI=1S/C20H40/c1-6-19(4)13-8-7-9-15-20(5,16-11-10-14-19)17-12-18(2)3/h18H,6-17H2,1-5H3
InChIKeyHQGUDHBRZLYDDU-UHFFFAOYSA-N
MW280.54 g/mol
LogP7.37
Rot. Bonds4

About 1-ethyl-1,6-dimethyl-6-(3-methylbutyl)cycloundecane

1-ethyl-1,6-dimethyl-6-(3-methylbutyl)cycloundecane (PubChem CID 91393597) has the molecular formula C20H40 and a molecular weight of 280.54 g/mol. Its IUPAC name is 1-ethyl-1,6-dimethyl-6-(3-methylbutyl)cycloundecane.

Molecular Properties

Compound Name1-ethyl-1,6-dimethyl-6-(3-methylbutyl)cycloundecane
PubChem CID91393597
Molecular FormulaC20H40
Molecular Weight280.54 g/mol
Exact Mass280.31
IUPAC Name1-ethyl-1,6-dimethyl-6-(3-methylbutyl)cycloundecane
SMILESCCC1(C)CCCCCC(C)(CCC(C)C)CCCC1
InChIInChI=1S/C20H40/c1-6-19(4)13-8-7-9-15-20(5,16-11-10-14-19)17-12-18(2)3/h18H,6-17H2,1-5H3
InChIKeyHQGUDHBRZLYDDU-UHFFFAOYSA-N
XLogP7.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.54
LogP ≤ 57.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-methyl-1-(3-methylhexyl)cyclohexane
CID 154522496
1-ethyl-1-methylcyclohexane;molecular hydrogen
CID 143091347
ethane;1-methoxybutane;1-methyl-1-(3-methylbutyl)cyclobutane
CID 144764405
methanamine;1-methyl-1-propylcyclohexane
CID 143166123
1-tert-butyl-1-methylcyclohexane;1-tert-butyl-1-methylcyclopentane;1-ethyl-1-methylcycloheptane;1-ethyl-1-methylcyclohexane;1-ethyl-1-methylcyclopentane;1-methyl-1-propan-2-ylcyclohexane;1-methyl-1-propan-2-ylcyclopentane
CID 159661868
1-(3-methylbutyl)-1-propan-2-ylcyclopentane
CID 140662970
1-ethyl-1-(2-methylpropyl)cyclopropane;1-ethyl-1-propan-2-ylcyclopropane;1-methyl-1-(3-methylbutyl)cyclopropane;1-methyl-1-(2-methylpropyl)cyclopropane
CID 160667226
cyclohexa-1,3-diene;1-ethyl-1-methylcyclopentane
CID 173121193
1-methyl-1-undecylcyclohexane
CID 86137257
1-(3,7-dimethyloctyl)-1-ethylcyclohexane
CID 123815514
N-[[1-(3-methylbutyl)cyclohexyl]methyl]propan-1-amine
CID 63509381
N-(benzenesulfonyl)-N-[5-methyl-5-(3-methylbutyl)cyclodecyl]benzenesulfonamide
CID 123821201

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1,6-dimethyl-6-(3-methylbutyl)cycloundecane?
The IUPAC name of 1-ethyl-1,6-dimethyl-6-(3-methylbutyl)cycloundecane (CID 91393597) is 1-ethyl-1,6-dimethyl-6-(3-methylbutyl)cycloundecane.
What is the SMILES notation for 1-ethyl-1,6-dimethyl-6-(3-methylbutyl)cycloundecane?
The canonical SMILES for 1-ethyl-1,6-dimethyl-6-(3-methylbutyl)cycloundecane is CCC1(C)CCCCCC(C)(CCC(C)C)CCCC1.
What is the InChIKey of 1-ethyl-1,6-dimethyl-6-(3-methylbutyl)cycloundecane?
The InChIKey is HQGUDHBRZLYDDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40/c1-6-19(4)13-8-7-9-15-20(5,16-11-10-14-19)17-12-18(2)3/h18H,6-17H2,1-5H3.
What are the key properties of 1-ethyl-1,6-dimethyl-6-(3-methylbutyl)cycloundecane?
1-ethyl-1,6-dimethyl-6-(3-methylbutyl)cycloundecane has a molecular weight of 280.54 g/mol, XLogP of 7.37, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1,6-dimethyl-6-(3-methylbutyl)cycloundecane is sourced from PubChem (CID 91393597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).