2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21-tetracontamethyldocosane

C62H126 — CID 123795334

IUPAC2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21-tetracontamethyldocosane
SMILESCC(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C
InChIInChI=1S/C62H126/c1-43(2,3)45(7,8)47(11,12)49(15,16)51(19,20)53(23,24)55(27,28)57(31,32)59(35,36)61(39,40)62(41,42)60(37,38)58(33,34)56(29,30)54(25,26)52(21,22)50(17,18)48(13,14)46(9,10)44(4,5)6/h1-42H3
InChIKeyIMOHLJPOPDDGOC-UHFFFAOYSA-N
MW871.69 g/mol
LogP21.55
Rot. Bonds17

About 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21-tetracontamethyldocosane

2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21-tetracontamethyldocosane (PubChem CID 123795334) has the molecular formula C62H126 and a molecular weight of 871.69 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21-tetracontamethyldocosane.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21-tetracontamethyldocosane
PubChem CID123795334
Molecular FormulaC62H126
Molecular Weight871.69 g/mol
Exact Mass870.99
IUPAC Name2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21-tetracontamethyldocosane
SMILESCC(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C
InChIInChI=1S/C62H126/c1-43(2,3)45(7,8)47(11,12)49(15,16)51(19,20)53(23,24)55(27,28)57(31,32)59(35,36)61(39,40)62(41,42)60(37,38)58(33,34)56(29,30)54(25,26)52(21,22)50(17,18)48(13,14)46(9,10)44(4,5)6/h1-42H3
InChIKeyIMOHLJPOPDDGOC-UHFFFAOYSA-N
XLogP21.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds17
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500871.69
LogP ≤ 521.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21-tetracontamethyldocosane with MolForge

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Related Compounds

2-fluoro-2,3,3,4,4,5,5-heptamethylhexane
CID 143853792
2,2,3,3,4,4,5,5,6-nonamethylheptane
CID 18709544
(12S)-12-ethyl-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,13,13,14,14-pentacosamethylhexadecane
CID 123648575
2,2,3,3,4,4,5,5,6,6,7,7-dodecamethylundecane
CID 123662569
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
N,N,2,3,3,4,4-heptamethylpentan-2-amine
CID 58769187
5,5-diethyl-2,2,3,3,4,4,6-heptamethylheptane
CID 123644711
2,2,3,3-tetramethylbutane;vanadium
CID 158970328
1-methyl-1-(2,3,3,4,4-pentamethylpentan-2-yl)cyclohexane
CID 143373737
3-chloro-2,2,4,4-tetramethylpentane;2,2,3,3,4,4-hexamethylpentane
CID 158783092
2,2,3,3,4,4-hexamethylpentanal
CID 59119752
2,2,3,3,4,4-hexamethylpentan-1-ol
CID 59119754

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21-tetracontamethyldocosane?
The IUPAC name of 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21-tetracontamethyldocosane (CID 123795334) is 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21-tetracontamethyldocosane.
What is the SMILES notation for 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21-tetracontamethyldocosane?
The canonical SMILES for 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21-tetracontamethyldocosane is CC(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C.
What is the InChIKey of 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21-tetracontamethyldocosane?
The InChIKey is IMOHLJPOPDDGOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H126/c1-43(2,3)45(7,8)47(11,12)49(15,16)51(19,20)53(23,24)55(27,28)57(31,32)59(35,36)61(39,40)62(41,42)60(37,38)58(33,34)56(29,30)54(25,26)52(21,22)50(17,18)48(13,14)46(9,10)44(4,5)6/h1-42H3.
What are the key properties of 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21-tetracontamethyldocosane?
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21-tetracontamethyldocosane has a molecular weight of 871.69 g/mol, XLogP of 21.55, 17 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21-tetracontamethyldocosane is sourced from PubChem (CID 123795334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).