2-heptyl-4-methyloxetane

C11H22O — CID 174470649

IUPAC2-heptyl-4-methyloxetane
SMILESCCCCCCCC1CC(C)O1
InChIInChI=1S/C11H22O/c1-3-4-5-6-7-8-11-9-10(2)12-11/h10-11H,3-9H2,1-2H3
InChIKeyNAGHVVMLAVZODE-UHFFFAOYSA-N
MW170.30 g/mol
LogP3.52
Rot. Bonds6

About 2-heptyl-4-methyloxetane

2-heptyl-4-methyloxetane (PubChem CID 174470649) has the molecular formula C11H22O and a molecular weight of 170.30 g/mol. Its IUPAC name is 2-heptyl-4-methyloxetane.

Molecular Properties

Compound Name2-heptyl-4-methyloxetane
PubChem CID174470649
Molecular FormulaC11H22O
Molecular Weight170.30 g/mol
Exact Mass170.17
IUPAC Name2-heptyl-4-methyloxetane
SMILESCCCCCCCC1CC(C)O1
InChIInChI=1S/C11H22O/c1-3-4-5-6-7-8-11-9-10(2)12-11/h10-11H,3-9H2,1-2H3
InChIKeyNAGHVVMLAVZODE-UHFFFAOYSA-N
XLogP3.52
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 53.52
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

(2S,4S,6R)-4-chloro-2-hexyl-6-methyloxane
CID 15865907
2-methyl-5-octadecyloxolane
CID 167511066
(2S,4R,6S)-6-hexyl-2-methyl-1,3-dioxan-4-ol
CID 10397949
(2S,5R)-2,5-di(pentadecyl)oxolane
CID 71352690
(2R)-2-octadecyloxirane
CID 98043533
2-tetratetracontyloxirane
CID 102093754
2-tetradecyloxirane
CID 23741
(2S)-2-pentadecyloxirane
CID 10706151
2-hexatetracontyloxirane
CID 102093756
2-hexadecyloxirane;2-hexyloxirane
CID 161227178
2-hexadecyloxirane;tetradecane
CID 174899291
3,4-dioctadecyl-7-oxabicyclo[4.1.0]heptane
CID 88774683

Frequently Asked Questions

What is the IUPAC name of 2-heptyl-4-methyloxetane?
The IUPAC name of 2-heptyl-4-methyloxetane (CID 174470649) is 2-heptyl-4-methyloxetane.
What is the SMILES notation for 2-heptyl-4-methyloxetane?
The canonical SMILES for 2-heptyl-4-methyloxetane is CCCCCCCC1CC(C)O1.
What is the InChIKey of 2-heptyl-4-methyloxetane?
The InChIKey is NAGHVVMLAVZODE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O/c1-3-4-5-6-7-8-11-9-10(2)12-11/h10-11H,3-9H2,1-2H3.
What are the key properties of 2-heptyl-4-methyloxetane?
2-heptyl-4-methyloxetane has a molecular weight of 170.30 g/mol, XLogP of 3.52, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-heptyl-4-methyloxetane is sourced from PubChem (CID 174470649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).