2-icos-1-en-2-yloxyethanol

C22H44O2 — CID 141375140

IUPAC2-icos-1-en-2-yloxyethanol
SMILESC=C(CCCCCCCCCCCCCCCCCC)OCCO
InChIInChI=1S/C22H44O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(2)24-21-20-23/h23H,2-21H2,1H3
InChIKeyQOOXDLSOVUFLRA-UHFFFAOYSA-N
MW340.59 g/mol
LogP7.16
Rot. Bonds20

About 2-icos-1-en-2-yloxyethanol

2-icos-1-en-2-yloxyethanol (PubChem CID 141375140) has the molecular formula C22H44O2 and a molecular weight of 340.59 g/mol. Its IUPAC name is 2-icos-1-en-2-yloxyethanol.

Molecular Properties

Compound Name2-icos-1-en-2-yloxyethanol
PubChem CID141375140
Molecular FormulaC22H44O2
Molecular Weight340.59 g/mol
Exact Mass340.33
IUPAC Name2-icos-1-en-2-yloxyethanol
SMILESC=C(CCCCCCCCCCCCCCCCCC)OCCO
InChIInChI=1S/C22H44O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(2)24-21-20-23/h23H,2-21H2,1H3
InChIKeyQOOXDLSOVUFLRA-UHFFFAOYSA-N
XLogP7.16
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 ≤ 57.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(oct-1-en-2-yloxymethoxy)ethanol
CID 87894197
1-oct-1-en-2-yloxydodecane
CID 58247133
ethene;2-hydroxyethyl hexadecanoate
CID 87221064
ethane;3-[heptyl(6-undec-1-en-2-yloxyhexyl)amino]propan-1-ol;propane
CID 170615596
2-henicos-1-en-2-yloxyhenicos-1-ene
CID 19992658
1-(5-bromopent-1-en-2-yloxy)pentadecane
CID 88529560
4-undec-1-en-2-yloxybutanal
CID 144696113
2-methoxyicos-1-ene
CID 175283491
sodium;hydride;2-hydroxyethyl dodecanoate
CID 173434676
N-ethyl-2-hept-1-en-2-yloxyethanamine
CID 90710090
2-hept-1-en-2-yloxyethyl 2-methylprop-2-enoate
CID 169002157
hexyl 2-(2-hydroxyethoxy)prop-2-enoate
CID 87769838

Frequently Asked Questions

What is the IUPAC name of 2-icos-1-en-2-yloxyethanol?
The IUPAC name of 2-icos-1-en-2-yloxyethanol (CID 141375140) is 2-icos-1-en-2-yloxyethanol.
What is the SMILES notation for 2-icos-1-en-2-yloxyethanol?
The canonical SMILES for 2-icos-1-en-2-yloxyethanol is C=C(CCCCCCCCCCCCCCCCCC)OCCO.
What is the InChIKey of 2-icos-1-en-2-yloxyethanol?
The InChIKey is QOOXDLSOVUFLRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H44O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(2)24-21-20-23/h23H,2-21H2,1H3.
What are the key properties of 2-icos-1-en-2-yloxyethanol?
2-icos-1-en-2-yloxyethanol has a molecular weight of 340.59 g/mol, XLogP of 7.16, 20 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-icos-1-en-2-yloxyethanol is sourced from PubChem (CID 141375140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).