1-but-2-en-2-yloxydecane

C14H28O — CID 139974507

IUPAC1-but-2-en-2-yloxydecane
SMILESCC=C(C)OCCCCCCCCCC
InChIInChI=1S/C14H28O/c1-4-6-7-8-9-10-11-12-13-15-14(3)5-2/h5H,4,6-13H2,1-3H3
InChIKeyVUOYCBOYCNKXRO-UHFFFAOYSA-N
MW212.38 g/mol
LogP5.07
Rot. Bonds10

About 1-but-2-en-2-yloxydecane

1-but-2-en-2-yloxydecane (PubChem CID 139974507) has the molecular formula C14H28O and a molecular weight of 212.38 g/mol. Its IUPAC name is 1-but-2-en-2-yloxydecane.

Molecular Properties

Compound Name1-but-2-en-2-yloxydecane
PubChem CID139974507
Molecular FormulaC14H28O
Molecular Weight212.38 g/mol
Exact Mass212.21
IUPAC Name1-but-2-en-2-yloxydecane
SMILESCC=C(C)OCCCCCCCCCC
InChIInChI=1S/C14H28O/c1-4-6-7-8-9-10-11-12-13-15-14(3)5-2/h5H,4,6-13H2,1-3H3
InChIKeyVUOYCBOYCNKXRO-UHFFFAOYSA-N
XLogP5.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500212.38
LogP ≤ 55.07
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-yloxydecane 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-yloxydecane?
The IUPAC name of 1-but-2-en-2-yloxydecane (CID 139974507) is 1-but-2-en-2-yloxydecane.
What is the SMILES notation for 1-but-2-en-2-yloxydecane?
The canonical SMILES for 1-but-2-en-2-yloxydecane is CC=C(C)OCCCCCCCCCC.
What is the InChIKey of 1-but-2-en-2-yloxydecane?
The InChIKey is VUOYCBOYCNKXRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O/c1-4-6-7-8-9-10-11-12-13-15-14(3)5-2/h5H,4,6-13H2,1-3H3.
What are the key properties of 1-but-2-en-2-yloxydecane?
1-but-2-en-2-yloxydecane has a molecular weight of 212.38 g/mol, XLogP of 5.07, 10 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-yloxydecane is sourced from PubChem (CID 139974507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).