2-(2-methylideneoctyl)oxetane

C12H22O — CID 86078831

IUPAC2-(2-methylideneoctyl)oxetane
SMILESC=C(CCCCCC)CC1CCO1
InChIInChI=1S/C12H22O/c1-3-4-5-6-7-11(2)10-12-8-9-13-12/h12H,2-10H2,1H3
InChIKeyKASWYWGUKSSJRB-UHFFFAOYSA-N
MW182.31 g/mol
LogP3.69
Rot. Bonds7

About 2-(2-methylideneoctyl)oxetane

2-(2-methylideneoctyl)oxetane (PubChem CID 86078831) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is 2-(2-methylideneoctyl)oxetane.

Molecular Properties

Compound Name2-(2-methylideneoctyl)oxetane
PubChem CID86078831
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name2-(2-methylideneoctyl)oxetane
SMILESC=C(CCCCCC)CC1CCO1
InChIInChI=1S/C12H22O/c1-3-4-5-6-7-11(2)10-12-8-9-13-12/h12H,2-10H2,1H3
InChIKeyKASWYWGUKSSJRB-UHFFFAOYSA-N
XLogP3.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2H-Pyran, 2-butyltetrahydro-6-methyl-4-methylene-
CID 91149
2-Methyl-4-methoxyoct-1-ene
CID 12657011
2-Propyl-4-methylenetetrahydropyran
CID 12283592
2-Butyl-4-methylenetetrahydropyran
CID 13516143
2-(2-Methylprop-2-enyl)oxetane
CID 90753234
2-Ethyl-4-methylideneoxane
CID 12347115
Tetrahydro-2-(2-methyl-2-propen-1-yl)-2H-pyran
CID 23579808
10-(3-Methylbut-3-enoxy)dec-1-ene
CID 168890516
2-Hexyl-4-methylideneoxane
CID 12338277
2-Methyl-2-(2-methylideneoctyl)oxetane
CID 86078830
4-Methylidene-2-nonyloxepane
CID 101903594
2-Methylidene-4-nonyloxetane
CID 102089325

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylideneoctyl)oxetane?
The IUPAC name of 2-(2-methylideneoctyl)oxetane (CID 86078831) is 2-(2-methylideneoctyl)oxetane.
What is the SMILES notation for 2-(2-methylideneoctyl)oxetane?
The canonical SMILES for 2-(2-methylideneoctyl)oxetane is C=C(CCCCCC)CC1CCO1.
What is the InChIKey of 2-(2-methylideneoctyl)oxetane?
The InChIKey is KASWYWGUKSSJRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O/c1-3-4-5-6-7-11(2)10-12-8-9-13-12/h12H,2-10H2,1H3.
What are the key properties of 2-(2-methylideneoctyl)oxetane?
2-(2-methylideneoctyl)oxetane has a molecular weight of 182.31 g/mol, XLogP of 3.69, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylideneoctyl)oxetane is sourced from PubChem (CID 86078831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).