benzene;(4R)-4-methyl-3-(4-methylheptanoyl)-1,3-oxazolidin-2-one

C18H27NO3 — CID 68743418

IUPACbenzene;(4R)-4-methyl-3-(4-methylheptanoyl)-1,3-oxazolidin-2-one
SMILESCCCC(C)CCC(=O)N1C(=O)OC[C@H]1C.c1ccccc1
InChIInChI=1S/C12H21NO3.C6H6/c1-4-5-9(2)6-7-11(14)13-10(3)8-16-12(13)15;1-2-4-6-5-3-1/h9-10H,4-8H2,1-3H3;1-6H/t9?,10-;/m1./s1
InChIKeyPYCXLXFDRRYEDF-FJYJDOHQSA-N
MW305.42 g/mol
LogP4.26
Rot. Bonds5

About benzene;(4R)-4-methyl-3-(4-methylheptanoyl)-1,3-oxazolidin-2-one

benzene;(4R)-4-methyl-3-(4-methylheptanoyl)-1,3-oxazolidin-2-one (PubChem CID 68743418) has the molecular formula C18H27NO3 and a molecular weight of 305.42 g/mol. Its IUPAC name is benzene;(4R)-4-methyl-3-(4-methylheptanoyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Namebenzene;(4R)-4-methyl-3-(4-methylheptanoyl)-1,3-oxazolidin-2-one
PubChem CID68743418
Molecular FormulaC18H27NO3
Molecular Weight305.42 g/mol
Exact Mass305.20
IUPAC Namebenzene;(4R)-4-methyl-3-(4-methylheptanoyl)-1,3-oxazolidin-2-one
SMILESCCCC(C)CCC(=O)N1C(=O)OC[C@H]1C.c1ccccc1
InChIInChI=1S/C12H21NO3.C6H6/c1-4-5-9(2)6-7-11(14)13-10(3)8-16-12(13)15;1-2-4-6-5-3-1/h9-10H,4-8H2,1-3H3;1-6H/t9?,10-;/m1./s1
InChIKeyPYCXLXFDRRYEDF-FJYJDOHQSA-N
XLogP4.26
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzene;(4R)-4-methyl-3-(4-methylheptanoyl)-1,3-oxazolidin-2-one?
The IUPAC name of benzene;(4R)-4-methyl-3-(4-methylheptanoyl)-1,3-oxazolidin-2-one (CID 68743418) is benzene;(4R)-4-methyl-3-(4-methylheptanoyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for benzene;(4R)-4-methyl-3-(4-methylheptanoyl)-1,3-oxazolidin-2-one?
The canonical SMILES for benzene;(4R)-4-methyl-3-(4-methylheptanoyl)-1,3-oxazolidin-2-one is CCCC(C)CCC(=O)N1C(=O)OC[C@H]1C.c1ccccc1.
What is the InChIKey of benzene;(4R)-4-methyl-3-(4-methylheptanoyl)-1,3-oxazolidin-2-one?
The InChIKey is PYCXLXFDRRYEDF-FJYJDOHQSA-N. The full InChI is InChI=1S/C12H21NO3.C6H6/c1-4-5-9(2)6-7-11(14)13-10(3)8-16-12(13)15;1-2-4-6-5-3-1/h9-10H,4-8H2,1-3H3;1-6H/t9?,10-;/m1./s1.
What are the key properties of benzene;(4R)-4-methyl-3-(4-methylheptanoyl)-1,3-oxazolidin-2-one?
benzene;(4R)-4-methyl-3-(4-methylheptanoyl)-1,3-oxazolidin-2-one has a molecular weight of 305.42 g/mol, XLogP of 4.26, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;(4R)-4-methyl-3-(4-methylheptanoyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 68743418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).