3-(3-methyl-3-pentylnonyl)-1,3-oxazolidine

C18H37NO — CID 134441561

IUPAC3-(3-methyl-3-pentylnonyl)-1,3-oxazolidine
SMILESCCCCCCC(C)(CCCCC)CCN1CCOC1
InChIInChI=1S/C18H37NO/c1-4-6-8-10-12-18(3,11-9-7-5-2)13-14-19-15-16-20-17-19/h4-17H2,1-3H3
InChIKeyJKCKQLJCOOEBNF-UHFFFAOYSA-N
MW283.50 g/mol
LogP5.22
Rot. Bonds12

About 3-(3-methyl-3-pentylnonyl)-1,3-oxazolidine

3-(3-methyl-3-pentylnonyl)-1,3-oxazolidine (PubChem CID 134441561) has the molecular formula C18H37NO and a molecular weight of 283.50 g/mol. Its IUPAC name is 3-(3-methyl-3-pentylnonyl)-1,3-oxazolidine.

Molecular Properties

Compound Name3-(3-methyl-3-pentylnonyl)-1,3-oxazolidine
PubChem CID134441561
Molecular FormulaC18H37NO
Molecular Weight283.50 g/mol
Exact Mass283.29
IUPAC Name3-(3-methyl-3-pentylnonyl)-1,3-oxazolidine
SMILESCCCCCCC(C)(CCCCC)CCN1CCOC1
InChIInChI=1S/C18H37NO/c1-4-6-8-10-12-18(3,11-9-7-5-2)13-14-19-15-16-20-17-19/h4-17H2,1-3H3
InChIKeyJKCKQLJCOOEBNF-UHFFFAOYSA-N
XLogP5.22
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.50
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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11-methyl-11-nonylhenicosane
CID 19690388
13-methyl-13-octylhentriacontane
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4-hexylmorpholine
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CID 174700907
4-(4-ethyl-4-methylhexyl)morpholine
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CID 3066158
4-(5-methyldodecan-5-yl)morpholine
CID 138551223
4-[2-(4-methylnonan-4-yloxy)ethyl]morpholine
CID 126510289
3-(pentoxymethyl)-1,3-oxazolidine
CID 164576907
1-(2-butyl-2-methyloctyl)-4-methylpiperazine
CID 166898824
4-hexyl-1,4-oxazepane
CID 166849903

Frequently Asked Questions

What is the IUPAC name of 3-(3-methyl-3-pentylnonyl)-1,3-oxazolidine?
The IUPAC name of 3-(3-methyl-3-pentylnonyl)-1,3-oxazolidine (CID 134441561) is 3-(3-methyl-3-pentylnonyl)-1,3-oxazolidine.
What is the SMILES notation for 3-(3-methyl-3-pentylnonyl)-1,3-oxazolidine?
The canonical SMILES for 3-(3-methyl-3-pentylnonyl)-1,3-oxazolidine is CCCCCCC(C)(CCCCC)CCN1CCOC1.
What is the InChIKey of 3-(3-methyl-3-pentylnonyl)-1,3-oxazolidine?
The InChIKey is JKCKQLJCOOEBNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NO/c1-4-6-8-10-12-18(3,11-9-7-5-2)13-14-19-15-16-20-17-19/h4-17H2,1-3H3.
What are the key properties of 3-(3-methyl-3-pentylnonyl)-1,3-oxazolidine?
3-(3-methyl-3-pentylnonyl)-1,3-oxazolidine has a molecular weight of 283.50 g/mol, XLogP of 5.22, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methyl-3-pentylnonyl)-1,3-oxazolidine is sourced from PubChem (CID 134441561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).