6-tricosan-6-yloxytricosane

C46H94O — CID 57279617

IUPAC6-tricosan-6-yloxytricosane
SMILESCCCCCCCCCCCCCCCCCC(CCCCC)OC(CCCCC)CCCCCCCCCCCCCCCCC
InChIInChI=1S/C46H94O/c1-5-9-13-15-17-19-21-23-25-27-29-31-33-35-39-43-45(41-37-11-7-3)47-46(42-38-12-8-4)44-40-36-34-32-30-28-26-24-22-20-18-16-14-10-6-2/h45-46H,5-44H2,1-4H3
InChIKeyUGVUDMSAGOOELT-UHFFFAOYSA-N
MW663.26 g/mol
LogP17.42
Rot. Bonds42

About 6-tricosan-6-yloxytricosane

6-tricosan-6-yloxytricosane (PubChem CID 57279617) has the molecular formula C46H94O and a molecular weight of 663.26 g/mol. Its IUPAC name is 6-tricosan-6-yloxytricosane.

Molecular Properties

Compound Name6-tricosan-6-yloxytricosane
PubChem CID57279617
Molecular FormulaC46H94O
Molecular Weight663.26 g/mol
Exact Mass662.73
IUPAC Name6-tricosan-6-yloxytricosane
SMILESCCCCCCCCCCCCCCCCCC(CCCCC)OC(CCCCC)CCCCCCCCCCCCCCCCC
InChIInChI=1S/C46H94O/c1-5-9-13-15-17-19-21-23-25-27-29-31-33-35-39-43-45(41-37-11-7-3)47-46(42-38-12-8-4)44-40-36-34-32-30-28-26-24-22-20-18-16-14-10-6-2/h45-46H,5-44H2,1-4H3
InChIKeyUGVUDMSAGOOELT-UHFFFAOYSA-N
XLogP17.42
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds42
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500663.26
LogP ≤ 517.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 91150918
4-icosan-4-yloxyicosane
CID 87313284
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CID 57069400
3-icosan-3-yloxyicosane
CID 22595200
3-pentadecan-3-yloxypentadecane
CID 57200588
2-(1-hydroxyhexadecan-2-yloxy)hexadecan-1-ol
CID 87617738
1-octadecan-9-yloxyethanol
CID 167496272
3-[1-(diethylamino)icosan-3-yloxy]-N,N-diethylicosan-1-amine
CID 11600150
tridecan-4-yloxymethanediol
CID 160683891
15-[19,19-di(nonoxy)nonadecan-5-yloxy]-1,1-di(nonoxy)nonadecane
CID 175226226
(5S)-5-methoxyundecane
CID 118889956
tripentadecan-6-yl phosphite
CID 87207088

Frequently Asked Questions

What is the IUPAC name of 6-tricosan-6-yloxytricosane?
The IUPAC name of 6-tricosan-6-yloxytricosane (CID 57279617) is 6-tricosan-6-yloxytricosane.
What is the SMILES notation for 6-tricosan-6-yloxytricosane?
The canonical SMILES for 6-tricosan-6-yloxytricosane is CCCCCCCCCCCCCCCCCC(CCCCC)OC(CCCCC)CCCCCCCCCCCCCCCCC.
What is the InChIKey of 6-tricosan-6-yloxytricosane?
The InChIKey is UGVUDMSAGOOELT-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H94O/c1-5-9-13-15-17-19-21-23-25-27-29-31-33-35-39-43-45(41-37-11-7-3)47-46(42-38-12-8-4)44-40-36-34-32-30-28-26-24-22-20-18-16-14-10-6-2/h45-46H,5-44H2,1-4H3.
What are the key properties of 6-tricosan-6-yloxytricosane?
6-tricosan-6-yloxytricosane has a molecular weight of 663.26 g/mol, XLogP of 17.42, 42 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tricosan-6-yloxytricosane is sourced from PubChem (CID 57279617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).