3-hexyl-3-methyloxetane

C10H20O — CID 67003203

IUPAC3-hexyl-3-methyloxetane
SMILESCCCCCCC1(C)COC1
InChIInChI=1S/C10H20O/c1-3-4-5-6-7-10(2)8-11-9-10/h3-9H2,1-2H3
InChIKeySWOLJENOUJWIPM-UHFFFAOYSA-N
MW156.27 g/mol
LogP2.99
Rot. Bonds5

About 3-hexyl-3-methyloxetane

3-hexyl-3-methyloxetane (PubChem CID 67003203) has the molecular formula C10H20O and a molecular weight of 156.27 g/mol. Its IUPAC name is 3-hexyl-3-methyloxetane.

Molecular Properties

Compound Name3-hexyl-3-methyloxetane
PubChem CID67003203
Molecular FormulaC10H20O
Molecular Weight156.27 g/mol
Exact Mass156.15
IUPAC Name3-hexyl-3-methyloxetane
SMILESCCCCCCC1(C)COC1
InChIInChI=1S/C10H20O/c1-3-4-5-6-7-10(2)8-11-9-10/h3-9H2,1-2H3
InChIKeySWOLJENOUJWIPM-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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Frequently Asked Questions

What is the IUPAC name of 3-hexyl-3-methyloxetane?
The IUPAC name of 3-hexyl-3-methyloxetane (CID 67003203) is 3-hexyl-3-methyloxetane.
What is the SMILES notation for 3-hexyl-3-methyloxetane?
The canonical SMILES for 3-hexyl-3-methyloxetane is CCCCCCC1(C)COC1.
What is the InChIKey of 3-hexyl-3-methyloxetane?
The InChIKey is SWOLJENOUJWIPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O/c1-3-4-5-6-7-10(2)8-11-9-10/h3-9H2,1-2H3.
What are the key properties of 3-hexyl-3-methyloxetane?
3-hexyl-3-methyloxetane 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 3-hexyl-3-methyloxetane is sourced from PubChem (CID 67003203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).