2-(5-methylhexyl)oxetane

C10H20O — CID 173452744

IUPAC2-(5-methylhexyl)oxetane
SMILESCC(C)CCCCC1CCO1
InChIInChI=1S/C10H20O/c1-9(2)5-3-4-6-10-7-8-11-10/h9-10H,3-8H2,1-2H3
InChIKeyXAEUYDXJQZGCQB-UHFFFAOYSA-N
MW156.27 g/mol
LogP2.99
Rot. Bonds5

About 2-(5-methylhexyl)oxetane

2-(5-methylhexyl)oxetane (PubChem CID 173452744) has the molecular formula C10H20O and a molecular weight of 156.27 g/mol. Its IUPAC name is 2-(5-methylhexyl)oxetane.

Molecular Properties

Compound Name2-(5-methylhexyl)oxetane
PubChem CID173452744
Molecular FormulaC10H20O
Molecular Weight156.27 g/mol
Exact Mass156.15
IUPAC Name2-(5-methylhexyl)oxetane
SMILESCC(C)CCCCC1CCO1
InChIInChI=1S/C10H20O/c1-9(2)5-3-4-6-10-7-8-11-10/h9-10H,3-8H2,1-2H3
InChIKeyXAEUYDXJQZGCQB-UHFFFAOYSA-N
XLogP2.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[11-[12-(oxetan-2-yl)dodecan-2-yloxy]dodecyl]oxetane
CID 66633104
2-[9-[11-(oxetan-2-yl)undecan-3-yloxy]undecyl]oxetane
CID 66589278
2-[2-(3-methylbutoxy)ethyl]oxetane
CID 150212884
2-(9-ethylpentadecyl)oxetane
CID 173032138
2-octadecyloxetane
CID 168986267
2-(7-phenyloctyl)oxetane
CID 173415617
2-[14-(3-methylbutylsulfanyl)tetradecyl]oxane
CID 23326719
2-[7-[11-(oxetan-2-yl)undecan-5-yloxy]undecyl]oxetane
CID 66633515
2-(6-bromo-7-methyloctyl)oxolane
CID 65165254
1-(oxetan-2-yl)heptadecan-4-amine
CID 67766424
2-[4-[1-(oxetan-2-yl)nonan-4-yloxy]nonyl]oxetane
CID 66633096
6-methyl-N-[2-(oxolan-2-yl)ethyl]heptan-2-amine
CID 65163408

Frequently Asked Questions

What is the IUPAC name of 2-(5-methylhexyl)oxetane?
The IUPAC name of 2-(5-methylhexyl)oxetane (CID 173452744) is 2-(5-methylhexyl)oxetane.
What is the SMILES notation for 2-(5-methylhexyl)oxetane?
The canonical SMILES for 2-(5-methylhexyl)oxetane is CC(C)CCCCC1CCO1.
What is the InChIKey of 2-(5-methylhexyl)oxetane?
The InChIKey is XAEUYDXJQZGCQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O/c1-9(2)5-3-4-6-10-7-8-11-10/h9-10H,3-8H2,1-2H3.
What are the key properties of 2-(5-methylhexyl)oxetane?
2-(5-methylhexyl)oxetane has a molecular weight of 156.27 g/mol, XLogP of 2.99, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylhexyl)oxetane is sourced from PubChem (CID 173452744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).