1-methoxy-10-(4-octoxy-2-pentoxybutoxy)decane

C28H58O4 — CID 102089285

IUPAC1-methoxy-10-(4-octoxy-2-pentoxybutoxy)decane
SMILESCCCCCCCCOCCC(COCCCCCCCCCCOC)OCCCCC
InChIInChI=1S/C28H58O4/c1-4-6-8-9-15-19-23-30-26-21-28(32-25-17-7-5-2)27-31-24-20-16-13-11-10-12-14-18-22-29-3/h28H,4-27H2,1-3H3
InChIKeyORWZFXFYQJMMNQ-UHFFFAOYSA-N
MW458.77 g/mol
LogP8.11
Rot. Bonds28

About 1-methoxy-10-(4-octoxy-2-pentoxybutoxy)decane

1-methoxy-10-(4-octoxy-2-pentoxybutoxy)decane (PubChem CID 102089285) has the molecular formula C28H58O4 and a molecular weight of 458.77 g/mol. Its IUPAC name is 1-methoxy-10-(4-octoxy-2-pentoxybutoxy)decane.

Molecular Properties

Compound Name1-methoxy-10-(4-octoxy-2-pentoxybutoxy)decane
PubChem CID102089285
Molecular FormulaC28H58O4
Molecular Weight458.77 g/mol
Exact Mass458.43
IUPAC Name1-methoxy-10-(4-octoxy-2-pentoxybutoxy)decane
SMILESCCCCCCCCOCCC(COCCCCCCCCCCOC)OCCCCC
InChIInChI=1S/C28H58O4/c1-4-6-8-9-15-19-23-30-26-21-28(32-25-17-7-5-2)27-31-24-20-16-13-11-10-12-14-18-22-29-3/h28H,4-27H2,1-3H3
InChIKeyORWZFXFYQJMMNQ-UHFFFAOYSA-N
XLogP8.11
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds28
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.77
LogP ≤ 58.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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1-[2,3-di(tridecoxy)propoxy]tridecane
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1-[2,3-di(octacosoxy)propoxy]octacosane
CID 139785017
1-[1-methoxy-3-(2-methoxyethoxy)propan-2-yl]oxyoctadecane
CID 126614147
1-[1-(2-methoxyethoxy)butan-2-yloxy]pentane
CID 165154265
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-(3-octadecoxy-4-tetradecoxybutyl)acetamide
CID 87497700
1,2-dibutoxyhexane
CID 19805858
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CID 174800290
2-dodecoxy-3-hexadecoxypropan-1-amine
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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-10-(4-octoxy-2-pentoxybutoxy)decane?
The IUPAC name of 1-methoxy-10-(4-octoxy-2-pentoxybutoxy)decane (CID 102089285) is 1-methoxy-10-(4-octoxy-2-pentoxybutoxy)decane.
What is the SMILES notation for 1-methoxy-10-(4-octoxy-2-pentoxybutoxy)decane?
The canonical SMILES for 1-methoxy-10-(4-octoxy-2-pentoxybutoxy)decane is CCCCCCCCOCCC(COCCCCCCCCCCOC)OCCCCC.
What is the InChIKey of 1-methoxy-10-(4-octoxy-2-pentoxybutoxy)decane?
The InChIKey is ORWZFXFYQJMMNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H58O4/c1-4-6-8-9-15-19-23-30-26-21-28(32-25-17-7-5-2)27-31-24-20-16-13-11-10-12-14-18-22-29-3/h28H,4-27H2,1-3H3.
What are the key properties of 1-methoxy-10-(4-octoxy-2-pentoxybutoxy)decane?
1-methoxy-10-(4-octoxy-2-pentoxybutoxy)decane has a molecular weight of 458.77 g/mol, XLogP of 8.11, 28 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-10-(4-octoxy-2-pentoxybutoxy)decane is sourced from PubChem (CID 102089285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).