methane;2-octadecoxypropan-1-ol

C22H48O2 — CID 178185801

IUPACmethane;2-octadecoxypropan-1-ol
SMILESC.CCCCCCCCCCCCCCCCCCOC(C)CO
InChIInChI=1S/C21H44O2.CH4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-21(2)20-22;/h21-22H,3-20H2,1-2H3;1H4
InChIKeyVZOXOKFILYPCFC-UHFFFAOYSA-N
MW344.62 g/mol
LogP7.28
Rot. Bonds19

About methane;2-octadecoxypropan-1-ol

methane;2-octadecoxypropan-1-ol (PubChem CID 178185801) has the molecular formula C22H48O2 and a molecular weight of 344.62 g/mol. Its IUPAC name is methane;2-octadecoxypropan-1-ol.

Molecular Properties

Compound Namemethane;2-octadecoxypropan-1-ol
PubChem CID178185801
Molecular FormulaC22H48O2
Molecular Weight344.62 g/mol
Exact Mass344.37
IUPAC Namemethane;2-octadecoxypropan-1-ol
SMILESC.CCCCCCCCCCCCCCCCCCOC(C)CO
InChIInChI=1S/C21H44O2.CH4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-21(2)20-22;/h21-22H,3-20H2,1-2H3;1H4
InChIKeyVZOXOKFILYPCFC-UHFFFAOYSA-N
XLogP7.28
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.62
LogP ≤ 57.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-[2-(2-decoxypropoxy)propoxy]propoxy]propoxy]propan-1-ol
CID 139973297
2-[2-[2-[2-(2-octadecoxypropoxy)propoxy]propoxy]propoxy]propan-1-ol
CID 11478535
2-(2-heptoxypropoxy)propan-1-ol
CID 90302123
2-[2-(2-tetradecoxypropoxy)propoxy]propan-1-ol
CID 11234638
2-[2-(2-hexoxypropoxy)propoxy]propan-1-ol
CID 87247027
2-[2-[2-[2-[2-[2-[2-[2-[2-(2-tridecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propan-1-ol
CID 175740296
2-[2-[2-[2-[2-[2-[2-[2-[2-(2-butoxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol
CID 88651680
2-[2-[2-[2-[2-[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propoxy]propoxy]propoxy]propan-1-ol
CID 101170306
(2R,3S)-3-hexadecoxybutane-1,2-diol
CID 14233165
2-butoxyethanol;2-butoxypropan-1-ol
CID 162121003
2-decoxyundecane
CID 151498473
1-undecan-2-yloxypentadecane
CID 174433069

Frequently Asked Questions

What is the IUPAC name of methane;2-octadecoxypropan-1-ol?
The IUPAC name of methane;2-octadecoxypropan-1-ol (CID 178185801) is methane;2-octadecoxypropan-1-ol.
What is the SMILES notation for methane;2-octadecoxypropan-1-ol?
The canonical SMILES for methane;2-octadecoxypropan-1-ol is C.CCCCCCCCCCCCCCCCCCOC(C)CO.
What is the InChIKey of methane;2-octadecoxypropan-1-ol?
The InChIKey is VZOXOKFILYPCFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H44O2.CH4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-21(2)20-22;/h21-22H,3-20H2,1-2H3;1H4.
What are the key properties of methane;2-octadecoxypropan-1-ol?
methane;2-octadecoxypropan-1-ol has a molecular weight of 344.62 g/mol, XLogP of 7.28, 19 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methane;2-octadecoxypropan-1-ol is sourced from PubChem (CID 178185801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).