1-but-2-en-2-yloxyicosane

C24H48O — CID 139974504

IUPAC1-but-2-en-2-yloxyicosane
SMILESCC=C(C)OCCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C24H48O/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-25-24(3)5-2/h5H,4,6-23H2,1-3H3
InChIKeyYBTLWVMZPVNYCM-UHFFFAOYSA-N
MW352.65 g/mol
LogP8.97
Rot. Bonds20

About 1-but-2-en-2-yloxyicosane

1-but-2-en-2-yloxyicosane (PubChem CID 139974504) has the molecular formula C24H48O and a molecular weight of 352.65 g/mol. Its IUPAC name is 1-but-2-en-2-yloxyicosane.

Molecular Properties

Compound Name1-but-2-en-2-yloxyicosane
PubChem CID139974504
Molecular FormulaC24H48O
Molecular Weight352.65 g/mol
Exact Mass352.37
IUPAC Name1-but-2-en-2-yloxyicosane
SMILESCC=C(C)OCCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C24H48O/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-25-24(3)5-2/h5H,4,6-23H2,1-3H3
InChIKeyYBTLWVMZPVNYCM-UHFFFAOYSA-N
XLogP8.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds20
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.65
LogP ≤ 58.97
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

1-[(E)-prop-1-enoxy]hexadecane
CID 20501241
Lauryl hexaoxyethylene
CID 21407036
Isopropenyl octadecyl ether
CID 22407739
1-[(Prop-1-en-2-yl)oxy]dodecane
CID 71365772
1-[(Z)-prop-1-enoxy]hexadecane
CID 87834889
n-Dodecyl nonaoxyethylene
CID 129694971
n-Decyl-pentaoxyethylene
CID 129694975
Dodecyl octaoxyethylene
CID 22145312
Octyl hexaoxyethylene
CID 129678610
Octyl nona-oxyethylene
CID 129678613
Hexadecyl hexaoxyethylene
CID 129717143
Ethylidene dioctadecyl ether
CID 129727682

Frequently Asked Questions

What is the IUPAC name of 1-but-2-en-2-yloxyicosane?
The IUPAC name of 1-but-2-en-2-yloxyicosane (CID 139974504) is 1-but-2-en-2-yloxyicosane.
What is the SMILES notation for 1-but-2-en-2-yloxyicosane?
The canonical SMILES for 1-but-2-en-2-yloxyicosane is CC=C(C)OCCCCCCCCCCCCCCCCCCCC.
What is the InChIKey of 1-but-2-en-2-yloxyicosane?
The InChIKey is YBTLWVMZPVNYCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H48O/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-25-24(3)5-2/h5H,4,6-23H2,1-3H3.
What are the key properties of 1-but-2-en-2-yloxyicosane?
1-but-2-en-2-yloxyicosane has a molecular weight of 352.65 g/mol, XLogP of 8.97, 20 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-2-en-2-yloxyicosane is sourced from PubChem (CID 139974504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).