3-[2-(1,1-dimethoxyethyl)decyl]oxetane

C17H34O3 — CID 152701590

IUPAC3-[2-(1,1-dimethoxyethyl)decyl]oxetane
SMILESCCCCCCCCC(CC1COC1)C(C)(OC)OC
InChIInChI=1S/C17H34O3/c1-5-6-7-8-9-10-11-16(12-15-13-20-14-15)17(2,18-3)19-4/h15-16H,5-14H2,1-4H3
InChIKeyZRRQUJWJXPININ-UHFFFAOYSA-N
MW286.46 g/mol
LogP4.40
Rot. Bonds12

About 3-[2-(1,1-dimethoxyethyl)decyl]oxetane

3-[2-(1,1-dimethoxyethyl)decyl]oxetane (PubChem CID 152701590) has the molecular formula C17H34O3 and a molecular weight of 286.46 g/mol. Its IUPAC name is 3-[2-(1,1-dimethoxyethyl)decyl]oxetane.

Molecular Properties

Compound Name3-[2-(1,1-dimethoxyethyl)decyl]oxetane
PubChem CID152701590
Molecular FormulaC17H34O3
Molecular Weight286.46 g/mol
Exact Mass286.25
IUPAC Name3-[2-(1,1-dimethoxyethyl)decyl]oxetane
SMILESCCCCCCCCC(CC1COC1)C(C)(OC)OC
InChIInChI=1S/C17H34O3/c1-5-6-7-8-9-10-11-16(12-15-13-20-14-15)17(2,18-3)19-4/h15-16H,5-14H2,1-4H3
InChIKeyZRRQUJWJXPININ-UHFFFAOYSA-N
XLogP4.40
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(1,1-dimethoxyethyl)decan-1-amine
CID 151429563
3-[4-(1,1-dimethoxyethyl)dodecyl]-3-methyloxetane
CID 151843357
5-(1,1-dimethoxyethyl)nonane
CID 139962185
3-[3-(1,1-dimethoxyethyl)undecyl]-7-oxabicyclo[4.1.0]heptane
CID 150483241
2,2-dimethoxy-3-[2-(2-methylprop-1-enoxy)ethyl]undecane
CID 150210042
4-(1,1-dimethoxyethyl)-1-(3-methoxypropoxy)dodecane
CID 151238395
2-[2-[4-(trimethoxymethyl)heptan-4-yl]nonyl]oxirane
CID 151434904
N'-[4-(1,1-dimethoxyethyl)dodecyl]ethane-1,2-diamine
CID 150867086
6-(trimethoxymethyl)tridecane
CID 151806345
2-(1,1-dimethoxyethyl)decyl prop-2-enoate
CID 150928265
2-(1,1-dimethoxyethyl)decylbenzene
CID 151688969
2-[4-(1,1-dimethoxyethyl)dodecyl-(2-hydroxyethyl)amino]ethanol
CID 151926052

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1,1-dimethoxyethyl)decyl]oxetane?
The IUPAC name of 3-[2-(1,1-dimethoxyethyl)decyl]oxetane (CID 152701590) is 3-[2-(1,1-dimethoxyethyl)decyl]oxetane.
What is the SMILES notation for 3-[2-(1,1-dimethoxyethyl)decyl]oxetane?
The canonical SMILES for 3-[2-(1,1-dimethoxyethyl)decyl]oxetane is CCCCCCCCC(CC1COC1)C(C)(OC)OC.
What is the InChIKey of 3-[2-(1,1-dimethoxyethyl)decyl]oxetane?
The InChIKey is ZRRQUJWJXPININ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O3/c1-5-6-7-8-9-10-11-16(12-15-13-20-14-15)17(2,18-3)19-4/h15-16H,5-14H2,1-4H3.
What are the key properties of 3-[2-(1,1-dimethoxyethyl)decyl]oxetane?
3-[2-(1,1-dimethoxyethyl)decyl]oxetane has a molecular weight of 286.46 g/mol, XLogP of 4.40, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1,1-dimethoxyethyl)decyl]oxetane is sourced from PubChem (CID 152701590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).