1,1,1,23,23,23-hexamethoxytricosane

C29H60O6 — CID 150492552

IUPAC1,1,1,23,23,23-hexamethoxytricosane
SMILESCOC(CCCCCCCCCCCCCCCCCCCCCC(OC)(OC)OC)(OC)OC
InChIInChI=1S/C29H60O6/c1-30-28(31-2,32-3)26-24-22-20-18-16-14-12-10-8-7-9-11-13-15-17-19-21-23-25-27-29(33-4,34-5)35-6/h7-27H2,1-6H3
InChIKeyHWCGSXWSLPVORE-UHFFFAOYSA-N
MW504.79 g/mol
LogP8.36
Rot. Bonds28

About 1,1,1,23,23,23-hexamethoxytricosane

1,1,1,23,23,23-hexamethoxytricosane (PubChem CID 150492552) has the molecular formula C29H60O6 and a molecular weight of 504.79 g/mol. Its IUPAC name is 1,1,1,23,23,23-hexamethoxytricosane.

Molecular Properties

Compound Name1,1,1,23,23,23-hexamethoxytricosane
PubChem CID150492552
Molecular FormulaC29H60O6
Molecular Weight504.79 g/mol
Exact Mass504.44
IUPAC Name1,1,1,23,23,23-hexamethoxytricosane
SMILESCOC(CCCCCCCCCCCCCCCCCCCCCC(OC)(OC)OC)(OC)OC
InChIInChI=1S/C29H60O6/c1-30-28(31-2,32-3)26-24-22-20-18-16-14-12-10-8-7-9-11-13-15-17-19-21-23-25-27-29(33-4,34-5)35-6/h7-27H2,1-6H3
InChIKeyHWCGSXWSLPVORE-UHFFFAOYSA-N
XLogP8.36
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds28
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.79
LogP ≤ 58.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

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CID 161375349
1,1,1,27,27,27-hexamethoxyheptacosane
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1,1,1,25,25,25-hexamethoxypentacosane
CID 151063523
1,1,1-trimethoxytridecane
CID 102481821
13-chloro-1,1,1-trimethoxytridecane
CID 150619368
CID 53438226
CID 53438226
1,1,1,21,21,21-hexamethoxy-11,11-dipropylhenicosane
CID 151648189
1,1,1,29,29,29-hexamethoxy-14,16-bis(13,13,13-trimethoxytridecyl)nonacosane-14,16-diamine
CID 151041000
N,N'-bis(13,13,13-trimethoxytridecyl)ethane-1,2-diamine
CID 152542530
1,1,1-trimethoxy-12-(12,12,12-trimethoxydodecyltetrasulfanyl)dodecane
CID 151026166
ethene;10-ethoxy-1,1,1-trimethoxydecane
CID 159955501
N'-(7,7,7-trimethoxyheptyl)ethane-1,2-diamine
CID 162247771

Frequently Asked Questions

What is the IUPAC name of 1,1,1,23,23,23-hexamethoxytricosane?
The IUPAC name of 1,1,1,23,23,23-hexamethoxytricosane (CID 150492552) is 1,1,1,23,23,23-hexamethoxytricosane.
What is the SMILES notation for 1,1,1,23,23,23-hexamethoxytricosane?
The canonical SMILES for 1,1,1,23,23,23-hexamethoxytricosane is COC(CCCCCCCCCCCCCCCCCCCCCC(OC)(OC)OC)(OC)OC.
What is the InChIKey of 1,1,1,23,23,23-hexamethoxytricosane?
The InChIKey is HWCGSXWSLPVORE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H60O6/c1-30-28(31-2,32-3)26-24-22-20-18-16-14-12-10-8-7-9-11-13-15-17-19-21-23-25-27-29(33-4,34-5)35-6/h7-27H2,1-6H3.
What are the key properties of 1,1,1,23,23,23-hexamethoxytricosane?
1,1,1,23,23,23-hexamethoxytricosane has a molecular weight of 504.79 g/mol, XLogP of 8.36, 28 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,23,23,23-hexamethoxytricosane is sourced from PubChem (CID 150492552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).