2-[[2-[[2-[[2-(dodecoxymethyl)-3-methoxy-2-(methoxymethyl)propoxy]methyl]-3-methoxy-2-(methoxymethyl)propoxy]methyl]-3-methoxy-2-(methoxymethyl)propoxy]methyl]-3-methoxy-2-(methoxymethyl)propan-1-ol

C40H82O13 — CID 170388026

IUPAC2-[[2-[[2-[[2-(dodecoxymethyl)-3-methoxy-2-(methoxymethyl)propoxy]methyl]-3-methoxy-2-(methoxymethyl)propoxy]methyl]-3-methoxy-2-(methoxymethyl)propoxy]methyl]-3-methoxy-2-(methoxymethyl)propan-1-ol
SMILESCCCCCCCCCCCCOCC(COC)(COC)COCC(COC)(COC)COCC(COC)(COC)COCC(CO)(COC)COC
InChIInChI=1S/C40H82O13/c1-10-11-12-13-14-15-16-17-18-19-20-50-31-38(24-44-4,25-45-5)32-52-35-40(28-48-8,29-49-9)36-53-34-39(26-46-6,27-47-7)33-51-30-37(21-41,22-42-2)23-43-3/h41H,10-36H2,1-9H3
InChIKeyITICVRBJFAOXGX-UHFFFAOYSA-N
MW771.08 g/mol
LogP5.08
Rot. Bonds42

About 2-[[2-[[2-[[2-(dodecoxymethyl)-3-methoxy-2-(methoxymethyl)propoxy]methyl]-3-methoxy-2-(methoxymethyl)propoxy]methyl]-3-methoxy-2-(methoxymethyl)propoxy]methyl]-3-methoxy-2-(methoxymethyl)propan-1-ol

2-[[2-[[2-[[2-(dodecoxymethyl)-3-methoxy-2-(methoxymethyl)propoxy]methyl]-3-methoxy-2-(methoxymethyl)propoxy]methyl]-3-methoxy-2-(methoxymethyl)propoxy]methyl]-3-methoxy-2-(methoxymethyl)propan-1-ol (PubChem CID 170388026) has the molecular formula C40H82O13 and a molecular weight of 771.08 g/mol. Its IUPAC name is 2-[[2-[[2-[[2-(dodecoxymethyl)-3-methoxy-2-(methoxymethyl)propoxy]methyl]-3-methoxy-2-(methoxymethyl)propoxy]methyl]-3-methoxy-2-(methoxymethyl)propoxy]methyl]-3-methoxy-2-(methoxymethyl)propan-1-ol.

Molecular Properties

Compound Name2-[[2-[[2-[[2-(dodecoxymethyl)-3-methoxy-2-(methoxymethyl)propoxy]methyl]-3-methoxy-2-(methoxymethyl)propoxy]methyl]-3-methoxy-2-(methoxymethyl)propoxy]methyl]-3-methoxy-2-(methoxymethyl)propan-1-ol
PubChem CID170388026
Molecular FormulaC40H82O13
Molecular Weight771.08 g/mol
Exact Mass770.58
IUPAC Name2-[[2-[[2-[[2-(dodecoxymethyl)-3-methoxy-2-(methoxymethyl)propoxy]methyl]-3-methoxy-2-(methoxymethyl)propoxy]methyl]-3-methoxy-2-(methoxymethyl)propoxy]methyl]-3-methoxy-2-(methoxymethyl)propan-1-ol
SMILESCCCCCCCCCCCCOCC(COC)(COC)COCC(COC)(COC)COCC(COC)(COC)COCC(CO)(COC)COC
InChIInChI=1S/C40H82O13/c1-10-11-12-13-14-15-16-17-18-19-20-50-31-38(24-44-4,25-45-5)32-52-35-40(28-48-8,29-49-9)36-53-34-39(26-46-6,27-47-7)33-51-30-37(21-41,22-42-2)23-43-3/h41H,10-36H2,1-9H3
InChIKeyITICVRBJFAOXGX-UHFFFAOYSA-N
XLogP5.08
TPSA130.99 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds42
Heavy Atoms53
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500771.08
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze 2-[[2-[[2-[[2-(dodecoxymethyl)-3-methoxy-2-(methoxymethyl)propoxy]methyl]-3-methoxy-2-(methoxymethyl)propoxy]methyl]-3-methoxy-2-(methoxymethyl)propoxy]methyl]-3-methoxy-2-(methoxymethyl)propan-1-ol with MolForge

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Related Compounds

2-(hydroxymethyl)-2-(tridecoxymethyl)propane-1,3-diol
CID 22035112
2-ethyl-2-(octoxymethyl)propane-1,3-diol
CID 11345608
2,2-bis(decoxymethyl)butan-1-ol
CID 71361310
3-[3-decoxy-2,2-bis(decoxymethyl)propoxy]propan-1-ol
CID 142743710
2-[2,2-bis(dodecoxymethyl)-3-(2-hydroxyethoxy)propoxy]ethanol
CID 131740227
2-(5-butoxypentyl)-2-(octoxymethyl)propane-1,3-diol
CID 58492091
3-(3-octadecylsulfanylpropoxy)-2,2-bis(3-octadecylsulfanylpropoxymethyl)propan-1-ol
CID 57307521
2-[[2-[[2,2-bis(hydroxymethyl)-3-methoxypropoxy]methyl]-2-(hydroxymethyl)-3-methoxypropoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol
CID 167106238
[2,2-bis(hydroxymethyl)-3-octoxypropyl] acetate
CID 90478238
decanoic acid;7-[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]heptanoic acid
CID 87751704
1-methoxy-6-[3-(3-methoxypropoxy)-2,2-bis(3-methoxypropoxymethyl)propoxy]hexane
CID 156683117
2-fluoro-2-(hexadecoxymethyl)propane-1,3-diol
CID 10569765

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[2-[[2-(dodecoxymethyl)-3-methoxy-2-(methoxymethyl)propoxy]methyl]-3-methoxy-2-(methoxymethyl)propoxy]methyl]-3-methoxy-2-(methoxymethyl)propoxy]methyl]-3-methoxy-2-(methoxymethyl)propan-1-ol?
The IUPAC name of 2-[[2-[[2-[[2-(dodecoxymethyl)-3-methoxy-2-(methoxymethyl)propoxy]methyl]-3-methoxy-2-(methoxymethyl)propoxy]methyl]-3-methoxy-2-(methoxymethyl)propoxy]methyl]-3-methoxy-2-(methoxymethyl)propan-1-ol (CID 170388026) is 2-[[2-[[2-[[2-(dodecoxymethyl)-3-methoxy-2-(methoxymethyl)propoxy]methyl]-3-methoxy-2-(methoxymethyl)propoxy]methyl]-3-methoxy-2-(methoxymethyl)propoxy]methyl]-3-methoxy-2-(methoxymethyl)propan-1-ol.
What is the SMILES notation for 2-[[2-[[2-[[2-(dodecoxymethyl)-3-methoxy-2-(methoxymethyl)propoxy]methyl]-3-methoxy-2-(methoxymethyl)propoxy]methyl]-3-methoxy-2-(methoxymethyl)propoxy]methyl]-3-methoxy-2-(methoxymethyl)propan-1-ol?
The canonical SMILES for 2-[[2-[[2-[[2-(dodecoxymethyl)-3-methoxy-2-(methoxymethyl)propoxy]methyl]-3-methoxy-2-(methoxymethyl)propoxy]methyl]-3-methoxy-2-(methoxymethyl)propoxy]methyl]-3-methoxy-2-(methoxymethyl)propan-1-ol is CCCCCCCCCCCCOCC(COC)(COC)COCC(COC)(COC)COCC(COC)(COC)COCC(CO)(COC)COC.
What is the InChIKey of 2-[[2-[[2-[[2-(dodecoxymethyl)-3-methoxy-2-(methoxymethyl)propoxy]methyl]-3-methoxy-2-(methoxymethyl)propoxy]methyl]-3-methoxy-2-(methoxymethyl)propoxy]methyl]-3-methoxy-2-(methoxymethyl)propan-1-ol?
The InChIKey is ITICVRBJFAOXGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H82O13/c1-10-11-12-13-14-15-16-17-18-19-20-50-31-38(24-44-4,25-45-5)32-52-35-40(28-48-8,29-49-9)36-53-34-39(26-46-6,27-47-7)33-51-30-37(21-41,22-42-2)23-43-3/h41H,10-36H2,1-9H3.
What are the key properties of 2-[[2-[[2-[[2-(dodecoxymethyl)-3-methoxy-2-(methoxymethyl)propoxy]methyl]-3-methoxy-2-(methoxymethyl)propoxy]methyl]-3-methoxy-2-(methoxymethyl)propoxy]methyl]-3-methoxy-2-(methoxymethyl)propan-1-ol?
2-[[2-[[2-[[2-(dodecoxymethyl)-3-methoxy-2-(methoxymethyl)propoxy]methyl]-3-methoxy-2-(methoxymethyl)propoxy]methyl]-3-methoxy-2-(methoxymethyl)propoxy]methyl]-3-methoxy-2-(methoxymethyl)propan-1-ol has a molecular weight of 771.08 g/mol, XLogP of 5.08, 42 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[2-[[2-(dodecoxymethyl)-3-methoxy-2-(methoxymethyl)propoxy]methyl]-3-methoxy-2-(methoxymethyl)propoxy]methyl]-3-methoxy-2-(methoxymethyl)propoxy]methyl]-3-methoxy-2-(methoxymethyl)propan-1-ol is sourced from PubChem (CID 170388026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).