1-(oxan-2-yloxy)ethylideneoxidanium

C7H13O3+ — CID 162402096

IUPAC1-(oxan-2-yloxy)ethylideneoxidanium
SMILES[H]/[O+]=C(\C)OC1CCCCO1
InChIInChI=1S/C7H12O3/c1-6(8)10-7-4-2-3-5-9-7/h7H,2-5H2,1H3/p+1
InChIKeyMWPBAIMERSTUSC-UHFFFAOYSA-O
MW145.18 g/mol
LogP1.05
Rot. Bonds1

About 1-(oxan-2-yloxy)ethylideneoxidanium

1-(oxan-2-yloxy)ethylideneoxidanium (PubChem CID 162402096) has the molecular formula C7H13O3+ and a molecular weight of 145.18 g/mol. Its IUPAC name is 1-(oxan-2-yloxy)ethylideneoxidanium.

Molecular Properties

Compound Name1-(oxan-2-yloxy)ethylideneoxidanium
PubChem CID162402096
Molecular FormulaC7H13O3+
Molecular Weight145.18 g/mol
Exact Mass145.09
IUPAC Name1-(oxan-2-yloxy)ethylideneoxidanium
SMILES[H]/[O+]=C(\C)OC1CCCCO1
InChIInChI=1S/C7H12O3/c1-6(8)10-7-4-2-3-5-9-7/h7H,2-5H2,1H3/p+1
InChIKeyMWPBAIMERSTUSC-UHFFFAOYSA-O
XLogP1.05
TPSA39.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.18
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}

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Related Compounds

oxan-2-yl 2-methylbut-2-enoate
CID 68809756
oxan-2-yl 2,2-dimethylpropanoate
CID 10679121
oxan-2-yl 2-bromo-2-methylpropanoate
CID 12570457
oxan-2-yl 4-methylpent-4-enoate
CID 11008908
2-methoxyoxepane
CID 24974084
oxan-2-yl butanoate
CID 14932559
oxan-2-yl octanoate
CID 23405562
(2,6-dimethylcyclohexyl) oxan-2-yl carbonate
CID 173476655
2-[2-(oxan-2-yloxy)propan-2-yloxy]oxane
CID 18680583
tris(oxan-2-yl) benzene-1,3,5-tricarboxylate
CID 139603181
sodium 1-(oxan-2-yloxy)-2-sulfanylethenolate
CID 88737510
2-(oxan-2-yloxy)propanoic acid
CID 542280

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-2-yloxy)ethylideneoxidanium?
The IUPAC name of 1-(oxan-2-yloxy)ethylideneoxidanium (CID 162402096) is 1-(oxan-2-yloxy)ethylideneoxidanium.
What is the SMILES notation for 1-(oxan-2-yloxy)ethylideneoxidanium?
The canonical SMILES for 1-(oxan-2-yloxy)ethylideneoxidanium is [H]/[O+]=C(\C)OC1CCCCO1.
What is the InChIKey of 1-(oxan-2-yloxy)ethylideneoxidanium?
The InChIKey is MWPBAIMERSTUSC-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H12O3/c1-6(8)10-7-4-2-3-5-9-7/h7H,2-5H2,1H3/p+1.
What are the key properties of 1-(oxan-2-yloxy)ethylideneoxidanium?
1-(oxan-2-yloxy)ethylideneoxidanium has a molecular weight of 145.18 g/mol, XLogP of 1.05, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-2-yloxy)ethylideneoxidanium is sourced from PubChem (CID 162402096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).