1-but-2-en-2-yloxyoctane

C12H24O — CID 139974518

IUPAC1-but-2-en-2-yloxyoctane
SMILESCC=C(C)OCCCCCCCC
InChIInChI=1S/C12H24O/c1-4-6-7-8-9-10-11-13-12(3)5-2/h5H,4,6-11H2,1-3H3
InChIKeyOQIZNFHFPVYXPF-UHFFFAOYSA-N
MW184.32 g/mol
LogP4.29
Rot. Bonds8

About 1-but-2-en-2-yloxyoctane

1-but-2-en-2-yloxyoctane (PubChem CID 139974518) has the molecular formula C12H24O and a molecular weight of 184.32 g/mol. Its IUPAC name is 1-but-2-en-2-yloxyoctane.

Molecular Properties

Compound Name1-but-2-en-2-yloxyoctane
PubChem CID139974518
Molecular FormulaC12H24O
Molecular Weight184.32 g/mol
Exact Mass184.18
IUPAC Name1-but-2-en-2-yloxyoctane
SMILESCC=C(C)OCCCCCCCC
InChIInChI=1S/C12H24O/c1-4-6-7-8-9-10-11-13-12(3)5-2/h5H,4,6-11H2,1-3H3
InChIKeyOQIZNFHFPVYXPF-UHFFFAOYSA-N
XLogP4.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.32
LogP ≤ 54.29
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-yloxyoctane?
The IUPAC name of 1-but-2-en-2-yloxyoctane (CID 139974518) is 1-but-2-en-2-yloxyoctane.
What is the SMILES notation for 1-but-2-en-2-yloxyoctane?
The canonical SMILES for 1-but-2-en-2-yloxyoctane is CC=C(C)OCCCCCCCC.
What is the InChIKey of 1-but-2-en-2-yloxyoctane?
The InChIKey is OQIZNFHFPVYXPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O/c1-4-6-7-8-9-10-11-13-12(3)5-2/h5H,4,6-11H2,1-3H3.
What are the key properties of 1-but-2-en-2-yloxyoctane?
1-but-2-en-2-yloxyoctane has a molecular weight of 184.32 g/mol, XLogP of 4.29, 8 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-yloxyoctane is sourced from PubChem (CID 139974518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).