(4S,5R)-4-methyl-5-undec-10-enyl-1,3-oxazolidin-2-one

C15H27NO2 — CID 11097107

IUPAC(4S,5R)-4-methyl-5-undec-10-enyl-1,3-oxazolidin-2-one
SMILESC=CCCCCCCCCC[C@H]1OC(=O)N[C@H]1C
InChIInChI=1S/C15H27NO2/c1-3-4-5-6-7-8-9-10-11-12-14-13(2)16-15(17)18-14/h3,13-14H,1,4-12H2,2H3,(H,16,17)/t13-,14+/m0/s1
InChIKeyPTYJLTBFLDJKND-UONOGXRCSA-N
MW253.39 g/mol
LogP4.18
Rot. Bonds10

About (4S,5R)-4-methyl-5-undec-10-enyl-1,3-oxazolidin-2-one

(4S,5R)-4-methyl-5-undec-10-enyl-1,3-oxazolidin-2-one (PubChem CID 11097107) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is (4S,5R)-4-methyl-5-undec-10-enyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S,5R)-4-methyl-5-undec-10-enyl-1,3-oxazolidin-2-one
PubChem CID11097107
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name(4S,5R)-4-methyl-5-undec-10-enyl-1,3-oxazolidin-2-one
SMILESC=CCCCCCCCCC[C@H]1OC(=O)N[C@H]1C
InChIInChI=1S/C15H27NO2/c1-3-4-5-6-7-8-9-10-11-12-14-13(2)16-15(17)18-14/h3,13-14H,1,4-12H2,2H3,(H,16,17)/t13-,14+/m0/s1
InChIKeyPTYJLTBFLDJKND-UONOGXRCSA-N
XLogP4.18
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 54.18
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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Related Compounds

(4S,5S)-4-methyl-5-undecyl-1,3-oxazolidin-2-one
CID 90683234
(4R,5R)-5-methyl-4-prop-2-enyl-1,3-oxazolidin-2-one
CID 11116158
(4S,5S)-5-ethyl-4-prop-2-enyl-1,3-oxazolidin-2-one
CID 11480568
(4S,5S)-5-methyl-4-prop-2-enyl-1,3-oxazolidin-2-one
CID 15632305
(4R,5S)-5-methyl-4-prop-2-enyl-1,3-oxazolidin-2-one
CID 15632306
(4S,5R)-5-heptyl-4-(1-iodoethenyl)-1,3-oxazolidin-2-one
CID 15698612
(4R,5R)-4-cyclohexyl-5-ethenyl-1,3-oxazolidin-2-one
CID 134966187
(4R,5S)-4-hex-1-en-2-yl-5-propan-2-yl-1,3-oxazolidin-2-one
CID 139191332
(4S,5R)-4-methyl-5-non-8-enyl-1,3-oxazolidin-2-one
CID 11746308
(4S,5R)-4-methyl-5-[(3Z,6Z,9Z,12Z)-pentadeca-3,6,9,12-tetraenyl]-1,3-oxazolidin-2-one
CID 21637950
(4S,5S)-4-(cyclohexylmethyl)-5-prop-2-enyl-1,3-oxazolidin-2-one
CID 10242698
5-But-3-enyl-4-(2-methylpropyl)-1,3-oxazolidin-2-one
CID 13891051

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-4-methyl-5-undec-10-enyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S,5R)-4-methyl-5-undec-10-enyl-1,3-oxazolidin-2-one (CID 11097107) is (4S,5R)-4-methyl-5-undec-10-enyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S,5R)-4-methyl-5-undec-10-enyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S,5R)-4-methyl-5-undec-10-enyl-1,3-oxazolidin-2-one is C=CCCCCCCCCC[C@H]1OC(=O)N[C@H]1C.
What is the InChIKey of (4S,5R)-4-methyl-5-undec-10-enyl-1,3-oxazolidin-2-one?
The InChIKey is PTYJLTBFLDJKND-UONOGXRCSA-N. The full InChI is InChI=1S/C15H27NO2/c1-3-4-5-6-7-8-9-10-11-12-14-13(2)16-15(17)18-14/h3,13-14H,1,4-12H2,2H3,(H,16,17)/t13-,14+/m0/s1.
What are the key properties of (4S,5R)-4-methyl-5-undec-10-enyl-1,3-oxazolidin-2-one?
(4S,5R)-4-methyl-5-undec-10-enyl-1,3-oxazolidin-2-one has a molecular weight of 253.39 g/mol, XLogP of 4.18, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-4-methyl-5-undec-10-enyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 11097107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).