2,4-dimethyl-6-(3,4,5,6-tetramethyloctan-2-yl)tricyclo[3.2.1.01,4]octane

C22H40 — CID 90738756

IUPAC2,4-dimethyl-6-(3,4,5,6-tetramethyloctan-2-yl)tricyclo[3.2.1.01,4]octane
SMILESCCC(C)C(C)C(C)C(C)C(C)C1CC23CC1C2(C)CC3C
InChIInChI=1S/C22H40/c1-9-13(2)15(4)16(5)17(6)18(7)19-11-22-12-20(19)21(22,8)10-14(22)3/h13-20H,9-12H2,1-8H3
InChIKeyOZGQDLFLKCORCX-UHFFFAOYSA-N
MW304.56 g/mol
LogP6.65
Rot. Bonds6

About 2,4-dimethyl-6-(3,4,5,6-tetramethyloctan-2-yl)tricyclo[3.2.1.01,4]octane

2,4-dimethyl-6-(3,4,5,6-tetramethyloctan-2-yl)tricyclo[3.2.1.01,4]octane (PubChem CID 90738756) has the molecular formula C22H40 and a molecular weight of 304.56 g/mol. Its IUPAC name is 2,4-dimethyl-6-(3,4,5,6-tetramethyloctan-2-yl)tricyclo[3.2.1.01,4]octane.

Molecular Properties

Compound Name2,4-dimethyl-6-(3,4,5,6-tetramethyloctan-2-yl)tricyclo[3.2.1.01,4]octane
PubChem CID90738756
Molecular FormulaC22H40
Molecular Weight304.56 g/mol
Exact Mass304.31
IUPAC Name2,4-dimethyl-6-(3,4,5,6-tetramethyloctan-2-yl)tricyclo[3.2.1.01,4]octane
SMILESCCC(C)C(C)C(C)C(C)C(C)C1CC23CC1C2(C)CC3C
InChIInChI=1S/C22H40/c1-9-13(2)15(4)16(5)17(6)18(7)19-11-22-12-20(19)21(22,8)10-14(22)3/h13-20H,9-12H2,1-8H3
InChIKeyOZGQDLFLKCORCX-UHFFFAOYSA-N
XLogP6.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.56
LogP ≤ 56.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-ethyl-2-(3,4,5-trimethylheptan-2-yl)cyclopropane
CID 123142246
3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19-heptadecamethylhenicosan-2-ylcyclopropane
CID 123401956
3,4,5,6,7,8,9,10,11,12,13,14,15-tridecamethylheptadecane
CID 168768999
2-(3,4,5-trimethylheptan-2-yl)bicyclo[2.2.0]hexane
CID 123639406
2-(4,5-dimethylheptan-3-yl)-1,1-dimethylcyclopropane
CID 90861114
ethane;3,4,5,6,7,8,9,10,11-nonamethyltridecane;sulfane;3,4,5,6-tetramethyloctane;tungsten
CID 162191243
5-(3,4-dimethylhexan-2-yl)tetracyclo[2.2.0.01,3.02,4]hexane
CID 123322308
1-methyl-3-(3-methylpentan-2-yl)cyclobutan-1-amine
CID 123215051
1,2-dimethyl-3-(4,5,6-trimethyloctan-3-yl)cyclopropane
CID 123844660
2-(2,3-dimethylpentyl)-1,1-dimethylcyclopropane
CID 91014133
2-butan-2-yl-1-methyl-3-(3-methylpentan-2-yl)cyclobutane
CID 90870897
(4S)-2,3,4-trimethylhexane
CID 58359072

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-6-(3,4,5,6-tetramethyloctan-2-yl)tricyclo[3.2.1.01,4]octane?
The IUPAC name of 2,4-dimethyl-6-(3,4,5,6-tetramethyloctan-2-yl)tricyclo[3.2.1.01,4]octane (CID 90738756) is 2,4-dimethyl-6-(3,4,5,6-tetramethyloctan-2-yl)tricyclo[3.2.1.01,4]octane.
What is the SMILES notation for 2,4-dimethyl-6-(3,4,5,6-tetramethyloctan-2-yl)tricyclo[3.2.1.01,4]octane?
The canonical SMILES for 2,4-dimethyl-6-(3,4,5,6-tetramethyloctan-2-yl)tricyclo[3.2.1.01,4]octane is CCC(C)C(C)C(C)C(C)C(C)C1CC23CC1C2(C)CC3C.
What is the InChIKey of 2,4-dimethyl-6-(3,4,5,6-tetramethyloctan-2-yl)tricyclo[3.2.1.01,4]octane?
The InChIKey is OZGQDLFLKCORCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40/c1-9-13(2)15(4)16(5)17(6)18(7)19-11-22-12-20(19)21(22,8)10-14(22)3/h13-20H,9-12H2,1-8H3.
What are the key properties of 2,4-dimethyl-6-(3,4,5,6-tetramethyloctan-2-yl)tricyclo[3.2.1.01,4]octane?
2,4-dimethyl-6-(3,4,5,6-tetramethyloctan-2-yl)tricyclo[3.2.1.01,4]octane has a molecular weight of 304.56 g/mol, XLogP of 6.65, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-6-(3,4,5,6-tetramethyloctan-2-yl)tricyclo[3.2.1.01,4]octane is sourced from PubChem (CID 90738756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).