1-hexadecoxypropoxy dimethoxy phosphite

C21H45O7P — CID 23443243

IUPAC1-hexadecoxypropoxy dimethoxy phosphite
SMILESCCCCCCCCCCCCCCCCOC(CC)OOP(OOC)OOC
InChIInChI=1S/C21H45O7P/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-21(6-2)25-28-29(26-22-3)27-23-4/h21H,5-20H2,1-4H3
InChIKeyWNAGWSPAOBXDMA-UHFFFAOYSA-N
MW440.56 g/mol
LogP7.55
Rot. Bonds24

About 1-hexadecoxypropoxy dimethoxy phosphite

1-hexadecoxypropoxy dimethoxy phosphite (PubChem CID 23443243) has the molecular formula C21H45O7P and a molecular weight of 440.56 g/mol. Its IUPAC name is 1-hexadecoxypropoxy dimethoxy phosphite.

Molecular Properties

Compound Name1-hexadecoxypropoxy dimethoxy phosphite
PubChem CID23443243
Molecular FormulaC21H45O7P
Molecular Weight440.56 g/mol
Exact Mass440.29
IUPAC Name1-hexadecoxypropoxy dimethoxy phosphite
SMILESCCCCCCCCCCCCCCCCOC(CC)OOP(OOC)OOC
InChIInChI=1S/C21H45O7P/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-21(6-2)25-28-29(26-22-3)27-23-4/h21H,5-20H2,1-4H3
InChIKeyWNAGWSPAOBXDMA-UHFFFAOYSA-N
XLogP7.55
TPSA64.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds24
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.56
LogP ≤ 57.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-(1-propoxypropoxy)hexane
CID 89482622
tris-decoxy phosphite
CID 19885773
diethyl(1-octoxypropoxy)alumane
CID 139905167
1-(1-hexadecoxypropoxy)propan-1-ol
CID 21317072
1-pentan-3-yloxydecane
CID 173279604
1-(1,2-diethoxyethoxy)hexane
CID 173222858
1,1-dibutoxyoctane
CID 54557001
1-(7,7-dioctoxyheptoxy)-9-methylperoxynonane
CID 175225379
bis(2-methylpropyl)-(1-octoxypropoxy)alumane
CID 139905020
1-(4-methyl-1-nonoxypentoxy)nonane
CID 168756191
1-(difluoromethoxy)decane
CID 14400535
1-heptoxypropan-1-ol
CID 19598529

Frequently Asked Questions

What is the IUPAC name of 1-hexadecoxypropoxy dimethoxy phosphite?
The IUPAC name of 1-hexadecoxypropoxy dimethoxy phosphite (CID 23443243) is 1-hexadecoxypropoxy dimethoxy phosphite.
What is the SMILES notation for 1-hexadecoxypropoxy dimethoxy phosphite?
The canonical SMILES for 1-hexadecoxypropoxy dimethoxy phosphite is CCCCCCCCCCCCCCCCOC(CC)OOP(OOC)OOC.
What is the InChIKey of 1-hexadecoxypropoxy dimethoxy phosphite?
The InChIKey is WNAGWSPAOBXDMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H45O7P/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-21(6-2)25-28-29(26-22-3)27-23-4/h21H,5-20H2,1-4H3.
What are the key properties of 1-hexadecoxypropoxy dimethoxy phosphite?
1-hexadecoxypropoxy dimethoxy phosphite has a molecular weight of 440.56 g/mol, XLogP of 7.55, 24 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexadecoxypropoxy dimethoxy phosphite is sourced from PubChem (CID 23443243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).