1-but-2-en-2-yloxydodecane

C16H32O — CID 139974498

IUPAC1-but-2-en-2-yloxydodecane
SMILESCC=C(C)OCCCCCCCCCCCC
InChIInChI=1S/C16H32O/c1-4-6-7-8-9-10-11-12-13-14-15-17-16(3)5-2/h5H,4,6-15H2,1-3H3
InChIKeyGSLRVCXQKAYRRR-UHFFFAOYSA-N
MW240.43 g/mol
LogP5.85
Rot. Bonds12

About 1-but-2-en-2-yloxydodecane

1-but-2-en-2-yloxydodecane (PubChem CID 139974498) has the molecular formula C16H32O and a molecular weight of 240.43 g/mol. Its IUPAC name is 1-but-2-en-2-yloxydodecane.

Molecular Properties

Compound Name1-but-2-en-2-yloxydodecane
PubChem CID139974498
Molecular FormulaC16H32O
Molecular Weight240.43 g/mol
Exact Mass240.25
IUPAC Name1-but-2-en-2-yloxydodecane
SMILESCC=C(C)OCCCCCCCCCCCC
InChIInChI=1S/C16H32O/c1-4-6-7-8-9-10-11-12-13-14-15-17-16(3)5-2/h5H,4,6-15H2,1-3H3
InChIKeyGSLRVCXQKAYRRR-UHFFFAOYSA-N
XLogP5.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500240.43
LogP ≤ 55.85
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'}

Analyze 1-but-2-en-2-yloxydodecane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-yloxydodecane?
The IUPAC name of 1-but-2-en-2-yloxydodecane (CID 139974498) is 1-but-2-en-2-yloxydodecane.
What is the SMILES notation for 1-but-2-en-2-yloxydodecane?
The canonical SMILES for 1-but-2-en-2-yloxydodecane is CC=C(C)OCCCCCCCCCCCC.
What is the InChIKey of 1-but-2-en-2-yloxydodecane?
The InChIKey is GSLRVCXQKAYRRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O/c1-4-6-7-8-9-10-11-12-13-14-15-17-16(3)5-2/h5H,4,6-15H2,1-3H3.
What are the key properties of 1-but-2-en-2-yloxydodecane?
1-but-2-en-2-yloxydodecane has a molecular weight of 240.43 g/mol, XLogP of 5.85, 12 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-yloxydodecane is sourced from PubChem (CID 139974498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).