bis((3R,4R)-3,4-dimethoxy-2,5-dimethylhexane);pentakis((3R,4R)-2,3,4,5-tetramethylhexane)

C70H154O4 — CID 159672418

IUPACbis((3R,4R)-3,4-dimethoxy-2,5-dimethylhexane);pentakis((3R,4R)-2,3,4,5-tetramethylhexane)
SMILESCC(C)[C@@H](C)[C@H](C)C(C)C.CC(C)[C@@H](C)[C@H](C)C(C)C.CC(C)[C@@H](C)[C@H](C)C(C)C.CC(C)[C@@H](C)[C@H](C)C(C)C.CC(C)[C@@H](C)[C@H](C)C(C)C.CO[C@H](C(C)C)[C@H](OC)C(C)C.CO[C@H](C(C)C)[C@H](OC)C(C)C
InChIInChI=1S/2C10H22O2.5C10H22/c2*1-7(2)9(11-5)10(12-6)8(3)4;5*1-7(2)9(5)10(6)8(3)4/h2*7-10H,1-6H3;5*7-10H,1-6H3/t7*9-,10-/m1111111/s1
InChIKeyMUDXVTURZQSHRT-GETNRRGFSA-N
MW1060.00 g/mol
LogP22.51
Rot. Bonds25

About bis((3R,4R)-3,4-dimethoxy-2,5-dimethylhexane);pentakis((3R,4R)-2,3,4,5-tetramethylhexane)

bis((3R,4R)-3,4-dimethoxy-2,5-dimethylhexane);pentakis((3R,4R)-2,3,4,5-tetramethylhexane) (PubChem CID 159672418) has the molecular formula C70H154O4 and a molecular weight of 1060.00 g/mol. Its IUPAC name is bis((3R,4R)-3,4-dimethoxy-2,5-dimethylhexane);pentakis((3R,4R)-2,3,4,5-tetramethylhexane).

Molecular Properties

Compound Namebis((3R,4R)-3,4-dimethoxy-2,5-dimethylhexane);pentakis((3R,4R)-2,3,4,5-tetramethylhexane)
PubChem CID159672418
Molecular FormulaC70H154O4
Molecular Weight1060.00 g/mol
Exact Mass1059.18
IUPAC Namebis((3R,4R)-3,4-dimethoxy-2,5-dimethylhexane);pentakis((3R,4R)-2,3,4,5-tetramethylhexane)
SMILESCC(C)[C@@H](C)[C@H](C)C(C)C.CC(C)[C@@H](C)[C@H](C)C(C)C.CC(C)[C@@H](C)[C@H](C)C(C)C.CC(C)[C@@H](C)[C@H](C)C(C)C.CC(C)[C@@H](C)[C@H](C)C(C)C.CO[C@H](C(C)C)[C@H](OC)C(C)C.CO[C@H](C(C)C)[C@H](OC)C(C)C
InChIInChI=1S/2C10H22O2.5C10H22/c2*1-7(2)9(11-5)10(12-6)8(3)4;5*1-7(2)9(5)10(6)8(3)4/h2*7-10H,1-6H3;5*7-10H,1-6H3/t7*9-,10-/m1111111/s1
InChIKeyMUDXVTURZQSHRT-GETNRRGFSA-N
XLogP22.51
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds25
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001060.00
LogP ≤ 522.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze bis((3R,4R)-3,4-dimethoxy-2,5-dimethylhexane);pentakis((3R,4R)-2,3,4,5-tetramethylhexane) with MolForge

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Related Compounds

3,4,5-trimethoxy-2,6-dimethylheptane
CID 58100186
2-methoxy-3,4,5-trimethylhexane
CID 123147502
2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63,64,65,66,67,68,69,70,71,72,73,74,75,76,77,78,79,80,81-octacontamethyldooctacontane
CID 123517328
2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28-heptacosamethylnonacosane;methane
CID 160593836
2,3,4-trimethoxypentane
CID 20754115
4-methoxy-3,5-dimethylhexan-2-one
CID 58201940
(3S)-4-methoxy-5-methylhexan-3-ol
CID 59039386
1,2,3-trimethoxy-4-methylpentane
CID 23384640
N-ethyl-4-methoxy-5-methylhex-1-yn-3-amine
CID 116720318
(4R)-3-methoxy-2-methylheptan-4-amine
CID 104932507
(2R,3R)-2-amino-3-methoxy-4-methylpentanoic acid
CID 131230204
3-(dimethylamino)-4-methoxy-5-methylhexan-2-one
CID 58883186

Frequently Asked Questions

What is the IUPAC name of bis((3R,4R)-3,4-dimethoxy-2,5-dimethylhexane);pentakis((3R,4R)-2,3,4,5-tetramethylhexane)?
The IUPAC name of bis((3R,4R)-3,4-dimethoxy-2,5-dimethylhexane);pentakis((3R,4R)-2,3,4,5-tetramethylhexane) (CID 159672418) is bis((3R,4R)-3,4-dimethoxy-2,5-dimethylhexane);pentakis((3R,4R)-2,3,4,5-tetramethylhexane).
What is the SMILES notation for bis((3R,4R)-3,4-dimethoxy-2,5-dimethylhexane);pentakis((3R,4R)-2,3,4,5-tetramethylhexane)?
The canonical SMILES for bis((3R,4R)-3,4-dimethoxy-2,5-dimethylhexane);pentakis((3R,4R)-2,3,4,5-tetramethylhexane) is CC(C)[C@@H](C)[C@H](C)C(C)C.CC(C)[C@@H](C)[C@H](C)C(C)C.CC(C)[C@@H](C)[C@H](C)C(C)C.CC(C)[C@@H](C)[C@H](C)C(C)C.CC(C)[C@@H](C)[C@H](C)C(C)C.CO[C@H](C(C)C)[C@H](OC)C(C)C.CO[C@H](C(C)C)[C@H](OC)C(C)C.
What is the InChIKey of bis((3R,4R)-3,4-dimethoxy-2,5-dimethylhexane);pentakis((3R,4R)-2,3,4,5-tetramethylhexane)?
The InChIKey is MUDXVTURZQSHRT-GETNRRGFSA-N. The full InChI is InChI=1S/2C10H22O2.5C10H22/c2*1-7(2)9(11-5)10(12-6)8(3)4;5*1-7(2)9(5)10(6)8(3)4/h2*7-10H,1-6H3;5*7-10H,1-6H3/t7*9-,10-/m1111111/s1.
What are the key properties of bis((3R,4R)-3,4-dimethoxy-2,5-dimethylhexane);pentakis((3R,4R)-2,3,4,5-tetramethylhexane)?
bis((3R,4R)-3,4-dimethoxy-2,5-dimethylhexane);pentakis((3R,4R)-2,3,4,5-tetramethylhexane) has a molecular weight of 1060.00 g/mol, XLogP of 22.51, 25 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis((3R,4R)-3,4-dimethoxy-2,5-dimethylhexane);pentakis((3R,4R)-2,3,4,5-tetramethylhexane) is sourced from PubChem (CID 159672418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).