(1R,6S)-6-ethyl-3,5,7,10-tetramethyltetracyclo[4.4.1.01,4.05,8]undecane

C17H28 — CID 163646390

IUPAC(1R,6S)-6-ethyl-3,5,7,10-tetramethyltetracyclo[4.4.1.01,4.05,8]undecane
SMILESCC[C@@]12C[C@@]34CC(C)C3C1(C)C(CC4C)C2C
InChIInChI=1S/C17H28/c1-6-17-9-16-8-10(2)14(16)15(17,5)13(12(17)4)7-11(16)3/h10-14H,6-9H2,1-5H3/t10?,11?,12?,13?,14?,15?,16-,17+/m1/s1
InChIKeyIIONOOFZIWNSMP-VGULIUCWSA-N
MW232.41 g/mol
LogP4.74
Rot. Bonds1

About (1R,6S)-6-ethyl-3,5,7,10-tetramethyltetracyclo[4.4.1.01,4.05,8]undecane

(1R,6S)-6-ethyl-3,5,7,10-tetramethyltetracyclo[4.4.1.01,4.05,8]undecane (PubChem CID 163646390) has the molecular formula C17H28 and a molecular weight of 232.41 g/mol. Its IUPAC name is (1R,6S)-6-ethyl-3,5,7,10-tetramethyltetracyclo[4.4.1.01,4.05,8]undecane.

Molecular Properties

Compound Name(1R,6S)-6-ethyl-3,5,7,10-tetramethyltetracyclo[4.4.1.01,4.05,8]undecane
PubChem CID163646390
Molecular FormulaC17H28
Molecular Weight232.41 g/mol
Exact Mass232.22
IUPAC Name(1R,6S)-6-ethyl-3,5,7,10-tetramethyltetracyclo[4.4.1.01,4.05,8]undecane
SMILESCC[C@@]12C[C@@]34CC(C)C3C1(C)C(CC4C)C2C
InChIInChI=1S/C17H28/c1-6-17-9-16-8-10(2)14(16)15(17,5)13(12(17)4)7-11(16)3/h10-14H,6-9H2,1-5H3/t10?,11?,12?,13?,14?,15?,16-,17+/m1/s1
InChIKeyIIONOOFZIWNSMP-VGULIUCWSA-N
XLogP4.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.41
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze (1R,6S)-6-ethyl-3,5,7,10-tetramethyltetracyclo[4.4.1.01,4.05,8]undecane with MolForge

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Related Compounds

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CID 177128711
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CID 123154138
2-(1,2-dimethylcyclobutyl)-1-ethylbicyclo[1.1.0]butane
CID 90876004
(1S,2R,5R,6R)-5-ethyl-2,6-dimethylbicyclo[3.1.0]hexan-2-ol
CID 143765864
trans-(2S,4R)-4-ethyl-1,1,2,4-tetramethylcyclopentane
CID 163416827
(2,3',4',5'-tetramethyl-3'-propylspiro[cyclobutane-3,7'-tricyclo[4.2.0.01,4]octane]-1-yl)methanethiol
CID 170251239
1-ethyl-1-methyl-3-(2-methylcyclopropyl)cyclobutane
CID 123695145
1-ethyl-2,3,3,4,5-pentamethylbicyclo[3.1.0]hexane
CID 123592730
1,2,2,3,4,5,8-heptamethylbicyclo[4.2.0]octane
CID 123287392
1-ethyl-1-(1-ethyl-2-methylcyclopropyl)cyclobutane
CID 123436733
1,2,3,6-tetramethyl-2-propan-2-ylbicyclo[2.2.0]hexane
CID 123893883

Frequently Asked Questions

What is the IUPAC name of (1R,6S)-6-ethyl-3,5,7,10-tetramethyltetracyclo[4.4.1.01,4.05,8]undecane?
The IUPAC name of (1R,6S)-6-ethyl-3,5,7,10-tetramethyltetracyclo[4.4.1.01,4.05,8]undecane (CID 163646390) is (1R,6S)-6-ethyl-3,5,7,10-tetramethyltetracyclo[4.4.1.01,4.05,8]undecane.
What is the SMILES notation for (1R,6S)-6-ethyl-3,5,7,10-tetramethyltetracyclo[4.4.1.01,4.05,8]undecane?
The canonical SMILES for (1R,6S)-6-ethyl-3,5,7,10-tetramethyltetracyclo[4.4.1.01,4.05,8]undecane is CC[C@@]12C[C@@]34CC(C)C3C1(C)C(CC4C)C2C.
What is the InChIKey of (1R,6S)-6-ethyl-3,5,7,10-tetramethyltetracyclo[4.4.1.01,4.05,8]undecane?
The InChIKey is IIONOOFZIWNSMP-VGULIUCWSA-N. The full InChI is InChI=1S/C17H28/c1-6-17-9-16-8-10(2)14(16)15(17,5)13(12(17)4)7-11(16)3/h10-14H,6-9H2,1-5H3/t10?,11?,12?,13?,14?,15?,16-,17+/m1/s1.
What are the key properties of (1R,6S)-6-ethyl-3,5,7,10-tetramethyltetracyclo[4.4.1.01,4.05,8]undecane?
(1R,6S)-6-ethyl-3,5,7,10-tetramethyltetracyclo[4.4.1.01,4.05,8]undecane has a molecular weight of 232.41 g/mol, XLogP of 4.74, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6S)-6-ethyl-3,5,7,10-tetramethyltetracyclo[4.4.1.01,4.05,8]undecane is sourced from PubChem (CID 163646390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).