(4R)-3-[(4S)-6-methylhept-1-en-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one

C14H25NO2 — CID 10868379

IUPAC(4R)-3-[(4S)-6-methylhept-1-en-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESC=CC[C@H](CC(C)C)N1C(=O)OC[C@H]1C(C)C
InChIInChI=1S/C14H25NO2/c1-6-7-12(8-10(2)3)15-13(11(4)5)9-17-14(15)16/h6,10-13H,1,7-9H2,2-5H3/t12-,13+/m1/s1
InChIKeyYUWODWGIJVIGOB-OLZOCXBDSA-N
MW239.36 g/mol
LogP3.45
Rot. Bonds6

About (4R)-3-[(4S)-6-methylhept-1-en-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one

(4R)-3-[(4S)-6-methylhept-1-en-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 10868379) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is (4R)-3-[(4S)-6-methylhept-1-en-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-3-[(4S)-6-methylhept-1-en-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID10868379
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name(4R)-3-[(4S)-6-methylhept-1-en-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESC=CC[C@H](CC(C)C)N1C(=O)OC[C@H]1C(C)C
InChIInChI=1S/C14H25NO2/c1-6-7-12(8-10(2)3)15-13(11(4)5)9-17-14(15)16/h6,10-13H,1,7-9H2,2-5H3/t12-,13+/m1/s1
InChIKeyYUWODWGIJVIGOB-OLZOCXBDSA-N
XLogP3.45
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (4R)-3-[(4S)-6-methylhept-1-en-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-3-[(4S)-6-methylhept-1-en-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one (CID 10868379) is (4R)-3-[(4S)-6-methylhept-1-en-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-3-[(4S)-6-methylhept-1-en-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-3-[(4S)-6-methylhept-1-en-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one is C=CC[C@H](CC(C)C)N1C(=O)OC[C@H]1C(C)C.
What is the InChIKey of (4R)-3-[(4S)-6-methylhept-1-en-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is YUWODWGIJVIGOB-OLZOCXBDSA-N. The full InChI is InChI=1S/C14H25NO2/c1-6-7-12(8-10(2)3)15-13(11(4)5)9-17-14(15)16/h6,10-13H,1,7-9H2,2-5H3/t12-,13+/m1/s1.
What are the key properties of (4R)-3-[(4S)-6-methylhept-1-en-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
(4R)-3-[(4S)-6-methylhept-1-en-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 239.36 g/mol, XLogP of 3.45, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-[(4S)-6-methylhept-1-en-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 10868379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).