1-but-2-en-2-yloxynonane

C13H26O — CID 139974521

IUPAC1-but-2-en-2-yloxynonane
SMILESCC=C(C)OCCCCCCCCC
InChIInChI=1S/C13H26O/c1-4-6-7-8-9-10-11-12-14-13(3)5-2/h5H,4,6-12H2,1-3H3
InChIKeyNYQGKPHOIISZRI-UHFFFAOYSA-N
MW198.35 g/mol
LogP4.68
Rot. Bonds9

About 1-but-2-en-2-yloxynonane

1-but-2-en-2-yloxynonane (PubChem CID 139974521) has the molecular formula C13H26O and a molecular weight of 198.35 g/mol. Its IUPAC name is 1-but-2-en-2-yloxynonane.

Molecular Properties

Compound Name1-but-2-en-2-yloxynonane
PubChem CID139974521
Molecular FormulaC13H26O
Molecular Weight198.35 g/mol
Exact Mass198.20
IUPAC Name1-but-2-en-2-yloxynonane
SMILESCC=C(C)OCCCCCCCCC
InChIInChI=1S/C13H26O/c1-4-6-7-8-9-10-11-12-14-13(3)5-2/h5H,4,6-12H2,1-3H3
InChIKeyNYQGKPHOIISZRI-UHFFFAOYSA-N
XLogP4.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 54.68
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

(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-yloxynonane?
The IUPAC name of 1-but-2-en-2-yloxynonane (CID 139974521) is 1-but-2-en-2-yloxynonane.
What is the SMILES notation for 1-but-2-en-2-yloxynonane?
The canonical SMILES for 1-but-2-en-2-yloxynonane is CC=C(C)OCCCCCCCCC.
What is the InChIKey of 1-but-2-en-2-yloxynonane?
The InChIKey is NYQGKPHOIISZRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O/c1-4-6-7-8-9-10-11-12-14-13(3)5-2/h5H,4,6-12H2,1-3H3.
What are the key properties of 1-but-2-en-2-yloxynonane?
1-but-2-en-2-yloxynonane has a molecular weight of 198.35 g/mol, XLogP of 4.68, 9 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-yloxynonane is sourced from PubChem (CID 139974521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).