1-but-2-en-2-yloxyundecane

C15H30O — CID 139974512

IUPAC1-but-2-en-2-yloxyundecane
SMILESCC=C(C)OCCCCCCCCCCC
InChIInChI=1S/C15H30O/c1-4-6-7-8-9-10-11-12-13-14-16-15(3)5-2/h5H,4,6-14H2,1-3H3
InChIKeyMMJKNOXUDAJXSK-UHFFFAOYSA-N
MW226.40 g/mol
LogP5.46
Rot. Bonds11

About 1-but-2-en-2-yloxyundecane

1-but-2-en-2-yloxyundecane (PubChem CID 139974512) has the molecular formula C15H30O and a molecular weight of 226.40 g/mol. Its IUPAC name is 1-but-2-en-2-yloxyundecane.

Molecular Properties

Compound Name1-but-2-en-2-yloxyundecane
PubChem CID139974512
Molecular FormulaC15H30O
Molecular Weight226.40 g/mol
Exact Mass226.23
IUPAC Name1-but-2-en-2-yloxyundecane
SMILESCC=C(C)OCCCCCCCCCCC
InChIInChI=1S/C15H30O/c1-4-6-7-8-9-10-11-12-13-14-16-15(3)5-2/h5H,4,6-14H2,1-3H3
InChIKeyMMJKNOXUDAJXSK-UHFFFAOYSA-N
XLogP5.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500226.40
LogP ≤ 55.46
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-yloxyundecane 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

(1E)-1-ethoxycyclooctene
CID 11768791
1-[(Z)-prop-1-enoxy]decane
CID 11805699
(1E)-1-ethoxy-cyclododecene
CID 13540263
n-Octyl oxypropylene
CID 13709445
Isopropenyl octadecyl ether
CID 22407739
1-[(Prop-1-en-2-yl)oxy]dodecane
CID 71365772
10-[(E)-but-2-en-2-yl]oxy-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorodecane
CID 126634355
1-Fluoro-9-prop-1-en-2-yloxynonane
CID 176669375
1-Fluoro-8-prop-1-en-2-yloxyoctane
CID 176669387
Octyl 2-propenyl ether
CID 53810706
6-heptyl-3,4-dihydro-2H-pyran
CID 12464361
1-[(E)-prop-1-enoxy]decane
CID 15357019

Frequently Asked Questions

What is the IUPAC name of 1-but-2-en-2-yloxyundecane?
The IUPAC name of 1-but-2-en-2-yloxyundecane (CID 139974512) is 1-but-2-en-2-yloxyundecane.
What is the SMILES notation for 1-but-2-en-2-yloxyundecane?
The canonical SMILES for 1-but-2-en-2-yloxyundecane is CC=C(C)OCCCCCCCCCCC.
What is the InChIKey of 1-but-2-en-2-yloxyundecane?
The InChIKey is MMJKNOXUDAJXSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O/c1-4-6-7-8-9-10-11-12-13-14-16-15(3)5-2/h5H,4,6-14H2,1-3H3.
What are the key properties of 1-but-2-en-2-yloxyundecane?
1-but-2-en-2-yloxyundecane has a molecular weight of 226.40 g/mol, XLogP of 5.46, 11 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-yloxyundecane is sourced from PubChem (CID 139974512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).