2,2,3,3,4,4-hexamethylpentane;2,2,3,4,4-pentamethylpentane;2,2,3,3-tetramethylbutane;2,3,3-trimethylpentane;2,3,4-trimethylpentane

C45H100 — CID 165099298

IUPAC2,2,3,3,4,4-hexamethylpentane;2,2,3,4,4-pentamethylpentane;2,2,3,3-tetramethylbutane;2,3,3-trimethylpentane;2,3,4-trimethylpentane
SMILESCC(C(C)(C)C)C(C)(C)C.CC(C)(C)C(C)(C)C.CC(C)(C)C(C)(C)C(C)(C)C.CC(C)C(C)C(C)C.CCC(C)(C)C(C)C
InChIInChI=1S/C11H24.C10H22.3C8H18/c1-9(2,3)11(7,8)10(4,5)6;1-8(9(2,3)4)10(5,6)7;1-7(2,3)8(4,5)6;1-6-8(4,5)7(2)3;1-6(2)8(5)7(3)4/h1-8H3;8H,1-7H3;1-6H3;7H,6H2,1-5H3;6-8H,1-5H3
InChIKeyYBAMLVKJDXWKSQ-UHFFFAOYSA-N
MW641.30 g/mol
LogP16.91
Rot. Bonds4

About 2,2,3,3,4,4-hexamethylpentane;2,2,3,4,4-pentamethylpentane;2,2,3,3-tetramethylbutane;2,3,3-trimethylpentane;2,3,4-trimethylpentane

2,2,3,3,4,4-hexamethylpentane;2,2,3,4,4-pentamethylpentane;2,2,3,3-tetramethylbutane;2,3,3-trimethylpentane;2,3,4-trimethylpentane (PubChem CID 165099298) has the molecular formula C45H100 and a molecular weight of 641.30 g/mol. Its IUPAC name is 2,2,3,3,4,4-hexamethylpentane;2,2,3,4,4-pentamethylpentane;2,2,3,3-tetramethylbutane;2,3,3-trimethylpentane;2,3,4-trimethylpentane.

Molecular Properties

Compound Name2,2,3,3,4,4-hexamethylpentane;2,2,3,4,4-pentamethylpentane;2,2,3,3-tetramethylbutane;2,3,3-trimethylpentane;2,3,4-trimethylpentane
PubChem CID165099298
Molecular FormulaC45H100
Molecular Weight641.30 g/mol
Exact Mass640.78
IUPAC Name2,2,3,3,4,4-hexamethylpentane;2,2,3,4,4-pentamethylpentane;2,2,3,3-tetramethylbutane;2,3,3-trimethylpentane;2,3,4-trimethylpentane
SMILESCC(C(C)(C)C)C(C)(C)C.CC(C)(C)C(C)(C)C.CC(C)(C)C(C)(C)C(C)(C)C.CC(C)C(C)C(C)C.CCC(C)(C)C(C)C
InChIInChI=1S/C11H24.C10H22.3C8H18/c1-9(2,3)11(7,8)10(4,5)6;1-8(9(2,3)4)10(5,6)7;1-7(2,3)8(4,5)6;1-6-8(4,5)7(2)3;1-6(2)8(5)7(3)4/h1-8H3;8H,1-7H3;1-6H3;7H,6H2,1-5H3;6-8H,1-5H3
InChIKeyYBAMLVKJDXWKSQ-UHFFFAOYSA-N
XLogP16.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500641.30
LogP ≤ 516.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2,2,3,3,4,4-hexamethylpentane;2,2,3,4,4-pentamethylpentane;2,2,3,3-tetramethylbutane;2,3,3-trimethylpentane;2,3,4-trimethylpentane with MolForge

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Related Compounds

2,2,3,3,4-pentamethylpentane;2,2,3,4,4-pentamethylpentane;tris(2,2,3,3-tetramethylbutane);2,2,3,3-tetramethylpentane;2,3,3,4-tetramethylpentane;(3R)-2,2,3,4-tetramethylpentane;2,2,3-trimethylpentane;2,3,3-trimethylpentane;2,3,4-trimethylpentane;(3R)-2,2,3-trimethylpentane
CID 163815979
2,2-dimethylbutane;propane;2,3,3-trimethylpentane
CID 91438439
2,3,4,5,6,6,7,8,9,10,11,11-dodecamethyltridecane
CID 123540393
ethane;hexane;2,3,3-trimethylpentane
CID 143714855
1,1-dimethylcyclopentane;(3S)-2,3-dimethylpentane;bis(3,3-dimethylpentane);ethylcyclopentane;3-ethylpentane;methylcyclohexane;2,2,3,4,4-pentamethylpentane;2,2,3,3-tetramethylbutane;2,2,3-trimethylbutane;2,3,3-trimethylpentane;2,3,4-trimethylpentane
CID 165032332
1-cyclopropyl-1-methylcyclopropane;tris(2,2,3,3-tetramethylbutane);2,2,3,3-tetramethylpentane;2,3,3,4-tetramethylpentane;(3R)-2,2,3,4-tetramethylpentane;2,2,3-trimethylpentane;2,3,3-trimethylpentane;2,3,4-trimethylpentane;(3R)-2,2,3-trimethylpentane
CID 163814216
2,3,5,6,7,7-hexamethylnonane
CID 123984490
5,5-diethyl-2,2,3,3,4,4,6-heptamethylheptane
CID 123644711
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,16,16,17-nonacosamethyloctadecane
CID 22959923
2,2,3,5,5-pentamethylheptan-4-ol
CID 156689812
4-butan-2-yl-4-ethyl-2,2,3,3,5,6-hexamethylheptane
CID 123564217
3,3,4,5,7-pentamethyl-6-propan-2-ylnonane
CID 91511171

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4-hexamethylpentane;2,2,3,4,4-pentamethylpentane;2,2,3,3-tetramethylbutane;2,3,3-trimethylpentane;2,3,4-trimethylpentane?
The IUPAC name of 2,2,3,3,4,4-hexamethylpentane;2,2,3,4,4-pentamethylpentane;2,2,3,3-tetramethylbutane;2,3,3-trimethylpentane;2,3,4-trimethylpentane (CID 165099298) is 2,2,3,3,4,4-hexamethylpentane;2,2,3,4,4-pentamethylpentane;2,2,3,3-tetramethylbutane;2,3,3-trimethylpentane;2,3,4-trimethylpentane.
What is the SMILES notation for 2,2,3,3,4,4-hexamethylpentane;2,2,3,4,4-pentamethylpentane;2,2,3,3-tetramethylbutane;2,3,3-trimethylpentane;2,3,4-trimethylpentane?
The canonical SMILES for 2,2,3,3,4,4-hexamethylpentane;2,2,3,4,4-pentamethylpentane;2,2,3,3-tetramethylbutane;2,3,3-trimethylpentane;2,3,4-trimethylpentane is CC(C(C)(C)C)C(C)(C)C.CC(C)(C)C(C)(C)C.CC(C)(C)C(C)(C)C(C)(C)C.CC(C)C(C)C(C)C.CCC(C)(C)C(C)C.
What is the InChIKey of 2,2,3,3,4,4-hexamethylpentane;2,2,3,4,4-pentamethylpentane;2,2,3,3-tetramethylbutane;2,3,3-trimethylpentane;2,3,4-trimethylpentane?
The InChIKey is YBAMLVKJDXWKSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24.C10H22.3C8H18/c1-9(2,3)11(7,8)10(4,5)6;1-8(9(2,3)4)10(5,6)7;1-7(2,3)8(4,5)6;1-6-8(4,5)7(2)3;1-6(2)8(5)7(3)4/h1-8H3;8H,1-7H3;1-6H3;7H,6H2,1-5H3;6-8H,1-5H3.
What are the key properties of 2,2,3,3,4,4-hexamethylpentane;2,2,3,4,4-pentamethylpentane;2,2,3,3-tetramethylbutane;2,3,3-trimethylpentane;2,3,4-trimethylpentane?
2,2,3,3,4,4-hexamethylpentane;2,2,3,4,4-pentamethylpentane;2,2,3,3-tetramethylbutane;2,3,3-trimethylpentane;2,3,4-trimethylpentane has a molecular weight of 641.30 g/mol, XLogP of 16.91, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4-hexamethylpentane;2,2,3,4,4-pentamethylpentane;2,2,3,3-tetramethylbutane;2,3,3-trimethylpentane;2,3,4-trimethylpentane is sourced from PubChem (CID 165099298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).