2-(6-methylhept-5-en-2-yl)-3-propan-2-yl-1,3-oxazolidine-4-carboxylic acid

C15H27NO3 — CID 22561631

IUPAC2-(6-methylhept-5-en-2-yl)-3-propan-2-yl-1,3-oxazolidine-4-carboxylic acid
SMILESCC(C)=CCCC(C)C1OCC(C(=O)O)N1C(C)C
InChIInChI=1S/C15H27NO3/c1-10(2)7-6-8-12(5)14-16(11(3)4)13(9-19-14)15(17)18/h7,11-14H,6,8-9H2,1-5H3,(H,17,18)
InChIKeyCJYKZWUXSOTEOW-UHFFFAOYSA-N
MW269.38 g/mol
LogP2.89
Rot. Bonds6

About 2-(6-methylhept-5-en-2-yl)-3-propan-2-yl-1,3-oxazolidine-4-carboxylic acid

2-(6-methylhept-5-en-2-yl)-3-propan-2-yl-1,3-oxazolidine-4-carboxylic acid (PubChem CID 22561631) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is 2-(6-methylhept-5-en-2-yl)-3-propan-2-yl-1,3-oxazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-(6-methylhept-5-en-2-yl)-3-propan-2-yl-1,3-oxazolidine-4-carboxylic acid
PubChem CID22561631
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Name2-(6-methylhept-5-en-2-yl)-3-propan-2-yl-1,3-oxazolidine-4-carboxylic acid
SMILESCC(C)=CCCC(C)C1OCC(C(=O)O)N1C(C)C
InChIInChI=1S/C15H27NO3/c1-10(2)7-6-8-12(5)14-16(11(3)4)13(9-19-14)15(17)18/h7,11-14H,6,8-9H2,1-5H3,(H,17,18)
InChIKeyCJYKZWUXSOTEOW-UHFFFAOYSA-N
XLogP2.89
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(6-methylhept-5-en-2-yl)-3-propan-2-yl-1,3-oxazolidine-4-carboxylic acid?
The IUPAC name of 2-(6-methylhept-5-en-2-yl)-3-propan-2-yl-1,3-oxazolidine-4-carboxylic acid (CID 22561631) is 2-(6-methylhept-5-en-2-yl)-3-propan-2-yl-1,3-oxazolidine-4-carboxylic acid.
What is the SMILES notation for 2-(6-methylhept-5-en-2-yl)-3-propan-2-yl-1,3-oxazolidine-4-carboxylic acid?
The canonical SMILES for 2-(6-methylhept-5-en-2-yl)-3-propan-2-yl-1,3-oxazolidine-4-carboxylic acid is CC(C)=CCCC(C)C1OCC(C(=O)O)N1C(C)C.
What is the InChIKey of 2-(6-methylhept-5-en-2-yl)-3-propan-2-yl-1,3-oxazolidine-4-carboxylic acid?
The InChIKey is CJYKZWUXSOTEOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-10(2)7-6-8-12(5)14-16(11(3)4)13(9-19-14)15(17)18/h7,11-14H,6,8-9H2,1-5H3,(H,17,18).
What are the key properties of 2-(6-methylhept-5-en-2-yl)-3-propan-2-yl-1,3-oxazolidine-4-carboxylic acid?
2-(6-methylhept-5-en-2-yl)-3-propan-2-yl-1,3-oxazolidine-4-carboxylic acid has a molecular weight of 269.38 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methylhept-5-en-2-yl)-3-propan-2-yl-1,3-oxazolidine-4-carboxylic acid is sourced from PubChem (CID 22561631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).