Lauryl hexaoxyethylene

C20H40O — CID 21407036

IUPAC2-hexoxytetradec-1-ene
SMILESCCCCCCCCCCCCC(=C)OCCCCCC
InChIInChI=1S/C20H40O/c1-4-6-8-10-11-12-13-14-15-16-18-20(3)21-19-17-9-7-5-2/h3-19H2,1-2H3
InChIKeyZPGXRXCGXVAGAO-UHFFFAOYSA-N
MW296.50 g/mol
LogP9.20
Rot. Bonds17

About Lauryl hexaoxyethylene

Lauryl hexaoxyethylene (PubChem CID 21407036) has the molecular formula C20H40O and a molecular weight of 296.50 g/mol. Its IUPAC name is 2-hexoxytetradec-1-ene.

Molecular Properties

Compound NameLauryl hexaoxyethylene
PubChem CID21407036
Molecular FormulaC20H40O
Molecular Weight296.50 g/mol
Exact Mass296.31
IUPAC Name2-hexoxytetradec-1-ene
SMILESCCCCCCCCCCCCC(=C)OCCCCCC
InChIInChI=1S/C20H40O/c1-4-6-8-10-11-12-13-14-15-16-18-20(3)21-19-17-9-7-5-2/h3-19H2,1-2H3
InChIKeyZPGXRXCGXVAGAO-UHFFFAOYSA-N
XLogP9.20
TPSA9.20 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms21
Complexity210

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.50
LogP ≤ 59.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

(2R,3R)-2-dec-9-enyl-3-pentyloxirane
CID 162959353
1-Hexylvinyl methyl ether
CID 551732
cis-7,8-Epoxy-2-methyl-1-octadecene
CID 18466383
2-Ethoxynon-1-ene
CID 12385679
1,2-Epoxy hexadecene
CID 18172944
1-(3-Butenyloxy)hexadecane
CID 19866525
Epoxy-eicosene
CID 20465854
Isopropenyl octadecyl ether
CID 22407739
cis-9,10-Epoxynonadecene
CID 57481007
1-[(Prop-1-en-2-yl)oxy]dodecane
CID 71365772
2-Methylidene-oxacyclotridecane
CID 85608247
Epoxynonadecene
CID 91445376

Frequently Asked Questions

What is the IUPAC name of Lauryl hexaoxyethylene?
The IUPAC name of Lauryl hexaoxyethylene (CID 21407036) is 2-hexoxytetradec-1-ene.
What is the SMILES notation for Lauryl hexaoxyethylene?
The canonical SMILES for Lauryl hexaoxyethylene is CCCCCCCCCCCCC(=C)OCCCCCC.
What is the InChIKey of Lauryl hexaoxyethylene?
The InChIKey is ZPGXRXCGXVAGAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40O/c1-4-6-8-10-11-12-13-14-15-16-18-20(3)21-19-17-9-7-5-2/h3-19H2,1-2H3.
What are the key properties of Lauryl hexaoxyethylene?
Lauryl hexaoxyethylene has a molecular weight of 296.50 g/mol, XLogP of 9.20, 17 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for Lauryl hexaoxyethylene is sourced from PubChem (CID 21407036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).