2-[3-[3-[3-[3-[3-[3-[3-(3-methoxybutan-2-yloxy)butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]ethyl dihydrogen phosphate

C35H73O13P — CID 169309073

IUPAC2-[3-[3-[3-[3-[3-[3-[3-(3-methoxybutan-2-yloxy)butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]ethyl dihydrogen phosphate
SMILESCOC(C)C(C)OC(C)C(C)OC(C)C(C)OC(C)C(C)OC(C)C(C)OC(C)C(C)OC(C)C(C)OC(C)C(C)OCCOP(=O)(O)O
InChIInChI=1S/C35H73O13P/c1-20(39-17)22(3)42-24(5)26(7)44-28(9)30(11)46-32(13)34(15)48-35(16)33(14)47-31(12)29(10)45-27(8)25(6)43-23(4)21(2)40-18-19-41-49(36,37)38/h20-35H,18-19H2,1-17H3,(H2,36,37,38)
InChIKeyMBFXIBGAHWDZJC-UHFFFAOYSA-N
MW732.93 g/mol
LogP6.09
Rot. Bonds28

About 2-[3-[3-[3-[3-[3-[3-[3-(3-methoxybutan-2-yloxy)butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]ethyl dihydrogen phosphate

2-[3-[3-[3-[3-[3-[3-[3-(3-methoxybutan-2-yloxy)butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]ethyl dihydrogen phosphate (PubChem CID 169309073) has the molecular formula C35H73O13P and a molecular weight of 732.93 g/mol. Its IUPAC name is 2-[3-[3-[3-[3-[3-[3-[3-(3-methoxybutan-2-yloxy)butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]ethyl dihydrogen phosphate.

Molecular Properties

Compound Name2-[3-[3-[3-[3-[3-[3-[3-(3-methoxybutan-2-yloxy)butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]ethyl dihydrogen phosphate
PubChem CID169309073
Molecular FormulaC35H73O13P
Molecular Weight732.93 g/mol
Exact Mass732.48
IUPAC Name2-[3-[3-[3-[3-[3-[3-[3-(3-methoxybutan-2-yloxy)butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]ethyl dihydrogen phosphate
SMILESCOC(C)C(C)OC(C)C(C)OC(C)C(C)OC(C)C(C)OC(C)C(C)OC(C)C(C)OC(C)C(C)OC(C)C(C)OCCOP(=O)(O)O
InChIInChI=1S/C35H73O13P/c1-20(39-17)22(3)42-24(5)26(7)44-28(9)30(11)46-32(13)34(15)48-35(16)33(14)47-31(12)29(10)45-27(8)25(6)43-23(4)21(2)40-18-19-41-49(36,37)38/h20-35H,18-19H2,1-17H3,(H2,36,37,38)
InChIKeyMBFXIBGAHWDZJC-UHFFFAOYSA-N
XLogP6.09
TPSA149.83 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds28
Heavy Atoms49
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500732.93
LogP ≤ 56.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 2-[3-[3-[3-[3-[3-[3-[3-(3-methoxybutan-2-yloxy)butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]ethyl dihydrogen phosphate with MolForge

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Related Compounds

methane;2-methoxy-3-(2-methoxyethoxy)butane
CID 161202755
3-[3-(3-butoxybutan-2-yloxy)butan-2-yloxy]butan-2-yl dihydrogen phosphate
CID 139834676
2-[2-(2-phosphonooxyethoxy)ethoxy]propanoic acid
CID 172703479
2-(3-methoxybutan-2-yloxy)ethyl hydrogen sulfate
CID 155771758
azanium 3-methylbutyl dihydrogen phosphate
CID 21149534
[(2R)-2,3-dimethoxypropyl] dihydrogen phosphate
CID 118688296
3-butoxybutan-2-yl dihydrogen phosphate
CID 139431139
2-(2-methoxyethoxyperoxyperoxy)ethyl dihydrogen phosphate
CID 175366577
(5-methyl-4-propan-2-ylhexyl) dihydrogen phosphate
CID 87908997
sodium;3,3-dihydroxypropyl dihydrogen phosphate;hydride
CID 174223594
5-aminohexyl dihydrogen phosphate
CID 18767611
3-(3-decylsulfanyldecan-2-yloxy)propyl dihydrogen phosphate
CID 142941541

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-[3-[3-[3-[3-[3-(3-methoxybutan-2-yloxy)butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]ethyl dihydrogen phosphate?
The IUPAC name of 2-[3-[3-[3-[3-[3-[3-[3-(3-methoxybutan-2-yloxy)butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]ethyl dihydrogen phosphate (CID 169309073) is 2-[3-[3-[3-[3-[3-[3-[3-(3-methoxybutan-2-yloxy)butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]ethyl dihydrogen phosphate.
What is the SMILES notation for 2-[3-[3-[3-[3-[3-[3-[3-(3-methoxybutan-2-yloxy)butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]ethyl dihydrogen phosphate?
The canonical SMILES for 2-[3-[3-[3-[3-[3-[3-[3-(3-methoxybutan-2-yloxy)butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]ethyl dihydrogen phosphate is COC(C)C(C)OC(C)C(C)OC(C)C(C)OC(C)C(C)OC(C)C(C)OC(C)C(C)OC(C)C(C)OC(C)C(C)OCCOP(=O)(O)O.
What is the InChIKey of 2-[3-[3-[3-[3-[3-[3-[3-(3-methoxybutan-2-yloxy)butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]ethyl dihydrogen phosphate?
The InChIKey is MBFXIBGAHWDZJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H73O13P/c1-20(39-17)22(3)42-24(5)26(7)44-28(9)30(11)46-32(13)34(15)48-35(16)33(14)47-31(12)29(10)45-27(8)25(6)43-23(4)21(2)40-18-19-41-49(36,37)38/h20-35H,18-19H2,1-17H3,(H2,36,37,38).
What are the key properties of 2-[3-[3-[3-[3-[3-[3-[3-(3-methoxybutan-2-yloxy)butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]ethyl dihydrogen phosphate?
2-[3-[3-[3-[3-[3-[3-[3-(3-methoxybutan-2-yloxy)butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]ethyl dihydrogen phosphate has a molecular weight of 732.93 g/mol, XLogP of 6.09, 28 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-[3-[3-[3-[3-[3-(3-methoxybutan-2-yloxy)butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]ethyl dihydrogen phosphate is sourced from PubChem (CID 169309073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).