(2R)-2-heptyl-3-methyl-1,3-oxazolidine

C11H23NO — CID 641510

IUPAC(2R)-2-heptyl-3-methyl-1,3-oxazolidine
SMILESCCCCCCC[C@H]1OCCN1C
InChIInChI=1S/C11H23NO/c1-3-4-5-6-7-8-11-12(2)9-10-13-11/h11H,3-10H2,1-2H3/t11-/m1/s1
InChIKeyPYTSGNFBJRAQHS-LLVKDONJSA-N
MW185.31 g/mol
LogP2.63
Rot. Bonds6

About (2R)-2-heptyl-3-methyl-1,3-oxazolidine

(2R)-2-heptyl-3-methyl-1,3-oxazolidine (PubChem CID 641510) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is (2R)-2-heptyl-3-methyl-1,3-oxazolidine.

Molecular Properties

Compound Name(2R)-2-heptyl-3-methyl-1,3-oxazolidine
PubChem CID641510
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name(2R)-2-heptyl-3-methyl-1,3-oxazolidine
SMILESCCCCCCC[C@H]1OCCN1C
InChIInChI=1S/C11H23NO/c1-3-4-5-6-7-8-11-12(2)9-10-13-11/h11H,3-10H2,1-2H3/t11-/m1/s1
InChIKeyPYTSGNFBJRAQHS-LLVKDONJSA-N
XLogP2.63
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.63
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

Oxazolidine, 3-butyl-2-(1-ethylpentyl)-
CID 3297025
1-(2-(Dodecyloxy)ethyl)pyrrolidine
CID 169651
1-(2-(Dodecyloxy)ethyl)pyrrolidine hydrochloride
CID 169650
4,4-Dimethyl-1-oxa-4-azoniaspiro[4.5]decane
CID 773833
2-Heptyl-3-methyl-1,3-oxazolidine
CID 21596985
4-Methyl-1-oxa-4-azaspiro[4.5]decane
CID 13556145
2-hexyl-N-butyloxazolidine
CID 12885787
2-Methyl-2-hexyl-3-(beta-hydroxyethyl)-1,3-oxazolidin
CID 129762203
3-[(Octyloxy)methyl]-1,3-oxazolidine
CID 164576930
3-[(Nonyloxy)methyl]-1,3-oxazolidine
CID 164576944
3-[(Decyloxy)methyl]-1,3-oxazolidine
CID 164576948
3-[(Undecyloxy)methyl]-1,3-oxazolidine
CID 164576959

Frequently Asked Questions

What is the IUPAC name of (2R)-2-heptyl-3-methyl-1,3-oxazolidine?
The IUPAC name of (2R)-2-heptyl-3-methyl-1,3-oxazolidine (CID 641510) is (2R)-2-heptyl-3-methyl-1,3-oxazolidine.
What is the SMILES notation for (2R)-2-heptyl-3-methyl-1,3-oxazolidine?
The canonical SMILES for (2R)-2-heptyl-3-methyl-1,3-oxazolidine is CCCCCCC[C@H]1OCCN1C.
What is the InChIKey of (2R)-2-heptyl-3-methyl-1,3-oxazolidine?
The InChIKey is PYTSGNFBJRAQHS-LLVKDONJSA-N. The full InChI is InChI=1S/C11H23NO/c1-3-4-5-6-7-8-11-12(2)9-10-13-11/h11H,3-10H2,1-2H3/t11-/m1/s1.
What are the key properties of (2R)-2-heptyl-3-methyl-1,3-oxazolidine?
(2R)-2-heptyl-3-methyl-1,3-oxazolidine has a molecular weight of 185.31 g/mol, XLogP of 2.63, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-heptyl-3-methyl-1,3-oxazolidine is sourced from PubChem (CID 641510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).