2-(octadecoxymethyl)prop-2-en-1-ol

C22H44O2 — CID 15611383

IUPAC2-(octadecoxymethyl)prop-2-en-1-ol
SMILESC=C(CO)COCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C22H44O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-21-22(2)20-23/h23H,2-21H2,1H3
InChIKeyXSYAXGDIJOWHHO-UHFFFAOYSA-N
MW340.59 g/mol
LogP6.81
Rot. Bonds20

About 2-(octadecoxymethyl)prop-2-en-1-ol

2-(octadecoxymethyl)prop-2-en-1-ol (PubChem CID 15611383) has the molecular formula C22H44O2 and a molecular weight of 340.59 g/mol. Its IUPAC name is 2-(octadecoxymethyl)prop-2-en-1-ol.

Molecular Properties

Compound Name2-(octadecoxymethyl)prop-2-en-1-ol
PubChem CID15611383
Molecular FormulaC22H44O2
Molecular Weight340.59 g/mol
Exact Mass340.33
IUPAC Name2-(octadecoxymethyl)prop-2-en-1-ol
SMILESC=C(CO)COCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C22H44O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-21-22(2)20-23/h23H,2-21H2,1H3
InChIKeyXSYAXGDIJOWHHO-UHFFFAOYSA-N
XLogP6.81
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.59
LogP ≤ 56.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(octadecoxymethyl)prop-2-en-1-ol?
The IUPAC name of 2-(octadecoxymethyl)prop-2-en-1-ol (CID 15611383) is 2-(octadecoxymethyl)prop-2-en-1-ol.
What is the SMILES notation for 2-(octadecoxymethyl)prop-2-en-1-ol?
The canonical SMILES for 2-(octadecoxymethyl)prop-2-en-1-ol is C=C(CO)COCCCCCCCCCCCCCCCCCC.
What is the InChIKey of 2-(octadecoxymethyl)prop-2-en-1-ol?
The InChIKey is XSYAXGDIJOWHHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H44O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-21-22(2)20-23/h23H,2-21H2,1H3.
What are the key properties of 2-(octadecoxymethyl)prop-2-en-1-ol?
2-(octadecoxymethyl)prop-2-en-1-ol has a molecular weight of 340.59 g/mol, XLogP of 6.81, 20 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(octadecoxymethyl)prop-2-en-1-ol is sourced from PubChem (CID 15611383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).