6,6-dimethyl-3-propan-2-ylcyclohepta[d][1,3]oxazol-2-one;ethane

C15H23NO2 — CID 145369365

IUPAC6,6-dimethyl-3-propan-2-ylcyclohepta[d][1,3]oxazol-2-one;ethane
SMILESCC.CC(C)n1c2c(oc1=O)C=CC(C)(C)C=C2
InChIInChI=1S/C13H17NO2.C2H6/c1-9(2)14-10-5-7-13(3,4)8-6-11(10)16-12(14)15;1-2/h5-9H,1-4H3;1-2H3
InChIKeyRXFLCNLXGLFEFU-UHFFFAOYSA-N
MW249.35 g/mol
LogP4.11
Rot. Bonds1

About 6,6-dimethyl-3-propan-2-ylcyclohepta[d][1,3]oxazol-2-one;ethane

6,6-dimethyl-3-propan-2-ylcyclohepta[d][1,3]oxazol-2-one;ethane (PubChem CID 145369365) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 6,6-dimethyl-3-propan-2-ylcyclohepta[d][1,3]oxazol-2-one;ethane.

Molecular Properties

Compound Name6,6-dimethyl-3-propan-2-ylcyclohepta[d][1,3]oxazol-2-one;ethane
PubChem CID145369365
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name6,6-dimethyl-3-propan-2-ylcyclohepta[d][1,3]oxazol-2-one;ethane
SMILESCC.CC(C)n1c2c(oc1=O)C=CC(C)(C)C=C2
InChIInChI=1S/C13H17NO2.C2H6/c1-9(2)14-10-5-7-13(3,4)8-6-11(10)16-12(14)15;1-2/h5-9H,1-4H3;1-2H3
InChIKeyRXFLCNLXGLFEFU-UHFFFAOYSA-N
XLogP4.11
TPSA35.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-6H-cyclohepta[d][1,3]oxazol-2-one
CID 123382803
6-ethyl-3-propan-2-yl-4H-cyclohepta[d][1,3]oxazol-2-one
CID 143587682
3,5-Diethylcyclohepta[d][1,3]oxazol-2-one;ethane
CID 143588694
3-ethyl-5-[(1Z,3Z)-3-ethylpenta-1,3-dienyl]-4-methyl-1,3-oxazol-2-one
CID 143588735
ethane;3-methyl-6H-cyclohepta[d][1,3]oxazol-2-one
CID 143798284
3,6-dimethyl-6H-cyclohepta[d][1,3]oxazol-2-one
CID 143839020
3-ethyl-6-methyl-6H-cyclohepta[d][1,3]oxazol-2-one
CID 145369363
3,5-Diethylcyclohepta[d][1,3]oxazol-2-one
CID 143588695
6,6-Dimethyl-3-propan-2-ylcyclohepta[d][1,3]oxazol-2-one
CID 145369366

Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-3-propan-2-ylcyclohepta[d][1,3]oxazol-2-one;ethane?
The IUPAC name of 6,6-dimethyl-3-propan-2-ylcyclohepta[d][1,3]oxazol-2-one;ethane (CID 145369365) is 6,6-dimethyl-3-propan-2-ylcyclohepta[d][1,3]oxazol-2-one;ethane.
What is the SMILES notation for 6,6-dimethyl-3-propan-2-ylcyclohepta[d][1,3]oxazol-2-one;ethane?
The canonical SMILES for 6,6-dimethyl-3-propan-2-ylcyclohepta[d][1,3]oxazol-2-one;ethane is CC.CC(C)n1c2c(oc1=O)C=CC(C)(C)C=C2.
What is the InChIKey of 6,6-dimethyl-3-propan-2-ylcyclohepta[d][1,3]oxazol-2-one;ethane?
The InChIKey is RXFLCNLXGLFEFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2.C2H6/c1-9(2)14-10-5-7-13(3,4)8-6-11(10)16-12(14)15;1-2/h5-9H,1-4H3;1-2H3.
What are the key properties of 6,6-dimethyl-3-propan-2-ylcyclohepta[d][1,3]oxazol-2-one;ethane?
6,6-dimethyl-3-propan-2-ylcyclohepta[d][1,3]oxazol-2-one;ethane has a molecular weight of 249.35 g/mol, XLogP of 4.11, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-3-propan-2-ylcyclohepta[d][1,3]oxazol-2-one;ethane is sourced from PubChem (CID 145369365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).