3-methyl-3-octyloxetane

C12H24O — CID 162658167

IUPAC3-methyl-3-octyloxetane
SMILESCCCCCCCCC1(C)COC1
InChIInChI=1S/C12H24O/c1-3-4-5-6-7-8-9-12(2)10-13-11-12/h3-11H2,1-2H3
InChIKeyQHZWWADMQUZVHP-UHFFFAOYSA-N
MW184.32 g/mol
LogP3.77
Rot. Bonds7

About 3-methyl-3-octyloxetane

3-methyl-3-octyloxetane (PubChem CID 162658167) has the molecular formula C12H24O and a molecular weight of 184.32 g/mol. Its IUPAC name is 3-methyl-3-octyloxetane.

Molecular Properties

Compound Name3-methyl-3-octyloxetane
PubChem CID162658167
Molecular FormulaC12H24O
Molecular Weight184.32 g/mol
Exact Mass184.18
IUPAC Name3-methyl-3-octyloxetane
SMILESCCCCCCCCC1(C)COC1
InChIInChI=1S/C12H24O/c1-3-4-5-6-7-8-9-12(2)10-13-11-12/h3-11H2,1-2H3
InChIKeyQHZWWADMQUZVHP-UHFFFAOYSA-N
XLogP3.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.32
LogP ≤ 53.77
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

1-methyl-1-pentylcyclopropane
CID 524644
3-[4-(1,1-dimethoxyethyl)dodecyl]-3-methyloxetane
CID 151843357
2-icosyl-2-methyloxirane
CID 87753382
2-methyl-2-nonadecyloxirane
CID 87754306
2-hexadecyl-2-methyloxirane
CID 87444144
3-[4-(1,1-diethoxyethyl)dodecyl]-3-methyloxetane
CID 150046806
1-methyl-1-undecylcyclohexane
CID 86137257
2-hexadecyl-2-tetradecyloxirane
CID 71421731
2-methyl-2-pentyloxirane
CID 559073
4-methyl-4-tetradecyl-1,3-oxazolidine
CID 66910784
2-methyl-2-octadecyl-1,4-dioxane
CID 150538207
4-dodecyl-4-methyl-1,3-oxazolidine
CID 66910716

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-octyloxetane?
The IUPAC name of 3-methyl-3-octyloxetane (CID 162658167) is 3-methyl-3-octyloxetane.
What is the SMILES notation for 3-methyl-3-octyloxetane?
The canonical SMILES for 3-methyl-3-octyloxetane is CCCCCCCCC1(C)COC1.
What is the InChIKey of 3-methyl-3-octyloxetane?
The InChIKey is QHZWWADMQUZVHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O/c1-3-4-5-6-7-8-9-12(2)10-13-11-12/h3-11H2,1-2H3.
What are the key properties of 3-methyl-3-octyloxetane?
3-methyl-3-octyloxetane has a molecular weight of 184.32 g/mol, XLogP of 3.77, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-octyloxetane is sourced from PubChem (CID 162658167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).