(2R)-2-(2-butyloctyl)-4-[(4Z)-cyclonon-4-en-1-yl]-1,3-oxazolidine

C24H45NO — CID 130317559

IUPAC(2R)-2-(2-butyloctyl)-4-[(4Z)-cyclonon-4-en-1-yl]-1,3-oxazolidine
SMILESCCCCCCC(CCCC)C[C@@H]1NC(C2CC/C=C\CCCC2)CO1
InChIInChI=1S/C24H45NO/c1-3-5-7-12-16-21(15-6-4-2)19-24-25-23(20-26-24)22-17-13-10-8-9-11-14-18-22/h8,10,21-25H,3-7,9,11-20H2,1-2H3/b10-8-/t21?,22?,23?,24-/m1/s1
InChIKeyLSGFALJMZRCOJM-DNSJNFJPSA-N
MW363.63 g/mol
LogP6.99
Rot. Bonds11

About (2R)-2-(2-butyloctyl)-4-[(4Z)-cyclonon-4-en-1-yl]-1,3-oxazolidine

(2R)-2-(2-butyloctyl)-4-[(4Z)-cyclonon-4-en-1-yl]-1,3-oxazolidine (PubChem CID 130317559) has the molecular formula C24H45NO and a molecular weight of 363.63 g/mol. Its IUPAC name is (2R)-2-(2-butyloctyl)-4-[(4Z)-cyclonon-4-en-1-yl]-1,3-oxazolidine.

Molecular Properties

Compound Name(2R)-2-(2-butyloctyl)-4-[(4Z)-cyclonon-4-en-1-yl]-1,3-oxazolidine
PubChem CID130317559
Molecular FormulaC24H45NO
Molecular Weight363.63 g/mol
Exact Mass363.35
IUPAC Name(2R)-2-(2-butyloctyl)-4-[(4Z)-cyclonon-4-en-1-yl]-1,3-oxazolidine
SMILESCCCCCCC(CCCC)C[C@@H]1NC(C2CC/C=C\CCCC2)CO1
InChIInChI=1S/C24H45NO/c1-3-5-7-12-16-21(15-6-4-2)19-24-25-23(20-26-24)22-17-13-10-8-9-11-14-18-22/h8,10,21-25H,3-7,9,11-20H2,1-2H3/b10-8-/t21?,22?,23?,24-/m1/s1
InChIKeyLSGFALJMZRCOJM-DNSJNFJPSA-N
XLogP6.99
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.63
LogP ≤ 56.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-butyloctyl)-4-[(4Z)-cyclonon-4-en-1-yl]-1,3-oxazolidine?
The IUPAC name of (2R)-2-(2-butyloctyl)-4-[(4Z)-cyclonon-4-en-1-yl]-1,3-oxazolidine (CID 130317559) is (2R)-2-(2-butyloctyl)-4-[(4Z)-cyclonon-4-en-1-yl]-1,3-oxazolidine.
What is the SMILES notation for (2R)-2-(2-butyloctyl)-4-[(4Z)-cyclonon-4-en-1-yl]-1,3-oxazolidine?
The canonical SMILES for (2R)-2-(2-butyloctyl)-4-[(4Z)-cyclonon-4-en-1-yl]-1,3-oxazolidine is CCCCCCC(CCCC)C[C@@H]1NC(C2CC/C=C\CCCC2)CO1.
What is the InChIKey of (2R)-2-(2-butyloctyl)-4-[(4Z)-cyclonon-4-en-1-yl]-1,3-oxazolidine?
The InChIKey is LSGFALJMZRCOJM-DNSJNFJPSA-N. The full InChI is InChI=1S/C24H45NO/c1-3-5-7-12-16-21(15-6-4-2)19-24-25-23(20-26-24)22-17-13-10-8-9-11-14-18-22/h8,10,21-25H,3-7,9,11-20H2,1-2H3/b10-8-/t21?,22?,23?,24-/m1/s1.
What are the key properties of (2R)-2-(2-butyloctyl)-4-[(4Z)-cyclonon-4-en-1-yl]-1,3-oxazolidine?
(2R)-2-(2-butyloctyl)-4-[(4Z)-cyclonon-4-en-1-yl]-1,3-oxazolidine has a molecular weight of 363.63 g/mol, XLogP of 6.99, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-butyloctyl)-4-[(4Z)-cyclonon-4-en-1-yl]-1,3-oxazolidine is sourced from PubChem (CID 130317559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).