3-butyl-2-heptan-3-yl-1,3-oxazolidine

C14H29NO — CID 3297025

IUPAC3-butyl-2-heptan-3-yl-1,3-oxazolidine
SMILESCCCCC(CC)C1OCCN1CCCC
InChIInChI=1S/C14H29NO/c1-4-7-9-13(6-3)14-15(10-8-5-2)11-12-16-14/h13-14H,4-12H2,1-3H3
InChIKeyCYMHAQCMKNVHPA-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.66
Rot. Bonds8

About 3-butyl-2-heptan-3-yl-1,3-oxazolidine

3-butyl-2-heptan-3-yl-1,3-oxazolidine (PubChem CID 3297025) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 3-butyl-2-heptan-3-yl-1,3-oxazolidine.

Molecular Properties

Compound Name3-butyl-2-heptan-3-yl-1,3-oxazolidine
PubChem CID3297025
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name3-butyl-2-heptan-3-yl-1,3-oxazolidine
SMILESCCCCC(CC)C1OCCN1CCCC
InChIInChI=1S/C14H29NO/c1-4-7-9-13(6-3)14-15(10-8-5-2)11-12-16-14/h13-14H,4-12H2,1-3H3
InChIKeyCYMHAQCMKNVHPA-UHFFFAOYSA-N
XLogP3.66
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-2-heptan-3-yl-1,3-oxazolidine?
The IUPAC name of 3-butyl-2-heptan-3-yl-1,3-oxazolidine (CID 3297025) is 3-butyl-2-heptan-3-yl-1,3-oxazolidine.
What is the SMILES notation for 3-butyl-2-heptan-3-yl-1,3-oxazolidine?
The canonical SMILES for 3-butyl-2-heptan-3-yl-1,3-oxazolidine is CCCCC(CC)C1OCCN1CCCC.
What is the InChIKey of 3-butyl-2-heptan-3-yl-1,3-oxazolidine?
The InChIKey is CYMHAQCMKNVHPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-4-7-9-13(6-3)14-15(10-8-5-2)11-12-16-14/h13-14H,4-12H2,1-3H3.
What are the key properties of 3-butyl-2-heptan-3-yl-1,3-oxazolidine?
3-butyl-2-heptan-3-yl-1,3-oxazolidine has a molecular weight of 227.39 g/mol, XLogP of 3.66, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-2-heptan-3-yl-1,3-oxazolidine is sourced from PubChem (CID 3297025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).