2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,22,23,24,25,26,27,28,29,30,31,32-triacontamethyltritriacontane

C63H128 — CID 20659071

IUPAC2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,22,23,24,25,26,27,28,29,30,31,32-triacontamethyltritriacontane
SMILESCC(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)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
InChIInChI=1S/C63H128/c1-34(2)38(7)42(11)46(15)50(19)54(23)52(21)48(17)44(13)40(9)36(5)33-37(6)41(10)45(14)49(18)53(22)56(25)58(27)60(29)62(31)63(32)61(30)59(28)57(26)55(24)51(20)47(16)43(12)39(8)35(3)4/h34-63H,33H2,1-32H3
InChIKeyXSMKPFFYDYPKMW-UHFFFAOYSA-N
MW885.72 g/mol
LogP20.50
Rot. Bonds30

About 2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,22,23,24,25,26,27,28,29,30,31,32-triacontamethyltritriacontane

2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,22,23,24,25,26,27,28,29,30,31,32-triacontamethyltritriacontane (PubChem CID 20659071) has the molecular formula C63H128 and a molecular weight of 885.72 g/mol. Its IUPAC name is 2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,22,23,24,25,26,27,28,29,30,31,32-triacontamethyltritriacontane.

Molecular Properties

Compound Name2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,22,23,24,25,26,27,28,29,30,31,32-triacontamethyltritriacontane
PubChem CID20659071
Molecular FormulaC63H128
Molecular Weight885.72 g/mol
Exact Mass885.00
IUPAC Name2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,22,23,24,25,26,27,28,29,30,31,32-triacontamethyltritriacontane
SMILESCC(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)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
InChIInChI=1S/C63H128/c1-34(2)38(7)42(11)46(15)50(19)54(23)52(21)48(17)44(13)40(9)36(5)33-37(6)41(10)45(14)49(18)53(22)56(25)58(27)60(29)62(31)63(32)61(30)59(28)57(26)55(24)51(20)47(16)43(12)39(8)35(3)4/h34-63H,33H2,1-32H3
InChIKeyXSMKPFFYDYPKMW-UHFFFAOYSA-N
XLogP20.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds30
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500885.72
LogP ≤ 520.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,22,23,24,25,26,27,28,29,30,31,32-triacontamethyltritriacontane with MolForge

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Related Compounds

Pristane
CID 15979
Squalane
CID 8089
Phytane
CID 12523
Farnesane
CID 19773
4,5-Dimethylnonane
CID 86541
Isoeicosane
CID 137081
Decylcyclohexane
CID 15713
(1R,2S)-1-heptyl-2-octylcyclopentane
CID 107873
2-Methylhexadecane
CID 15266
(+-)-2,2,4,4,6,8,8-Heptamethylnonane
CID 20414
2-Methylpentadecane
CID 15267
Cyclohexane, tetradecyl-
CID 15715

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,22,23,24,25,26,27,28,29,30,31,32-triacontamethyltritriacontane?
The IUPAC name of 2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,22,23,24,25,26,27,28,29,30,31,32-triacontamethyltritriacontane (CID 20659071) is 2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,22,23,24,25,26,27,28,29,30,31,32-triacontamethyltritriacontane.
What is the SMILES notation for 2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,22,23,24,25,26,27,28,29,30,31,32-triacontamethyltritriacontane?
The canonical SMILES for 2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,22,23,24,25,26,27,28,29,30,31,32-triacontamethyltritriacontane is CC(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)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.
What is the InChIKey of 2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,22,23,24,25,26,27,28,29,30,31,32-triacontamethyltritriacontane?
The InChIKey is XSMKPFFYDYPKMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H128/c1-34(2)38(7)42(11)46(15)50(19)54(23)52(21)48(17)44(13)40(9)36(5)33-37(6)41(10)45(14)49(18)53(22)56(25)58(27)60(29)62(31)63(32)61(30)59(28)57(26)55(24)51(20)47(16)43(12)39(8)35(3)4/h34-63H,33H2,1-32H3.
What are the key properties of 2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,22,23,24,25,26,27,28,29,30,31,32-triacontamethyltritriacontane?
2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,22,23,24,25,26,27,28,29,30,31,32-triacontamethyltritriacontane has a molecular weight of 885.72 g/mol, XLogP of 20.50, 30 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,22,23,24,25,26,27,28,29,30,31,32-triacontamethyltritriacontane is sourced from PubChem (CID 20659071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).