(4R)-2,2-dimethyl-4-propan-2-yloxane-4-carbonitrile

C11H19NO — CID 7560631

IUPAC(4R)-2,2-dimethyl-4-propan-2-yloxane-4-carbonitrile
SMILESCC(C)[C@@]1(C#N)CCOC(C)(C)C1
InChIInChI=1S/C11H19NO/c1-9(2)11(8-12)5-6-13-10(3,4)7-11/h9H,5-7H2,1-4H3/t11-/m0/s1
InChIKeyRUQLWZBBBBYOAH-NSHDSACASA-N
MW181.28 g/mol
LogP2.74
Rot. Bonds1

About (4R)-2,2-dimethyl-4-propan-2-yloxane-4-carbonitrile

(4R)-2,2-dimethyl-4-propan-2-yloxane-4-carbonitrile (PubChem CID 7560631) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is (4R)-2,2-dimethyl-4-propan-2-yloxane-4-carbonitrile.

Molecular Properties

Compound Name(4R)-2,2-dimethyl-4-propan-2-yloxane-4-carbonitrile
PubChem CID7560631
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name(4R)-2,2-dimethyl-4-propan-2-yloxane-4-carbonitrile
SMILESCC(C)[C@@]1(C#N)CCOC(C)(C)C1
InChIInChI=1S/C11H19NO/c1-9(2)11(8-12)5-6-13-10(3,4)7-11/h9H,5-7H2,1-4H3/t11-/m0/s1
InChIKeyRUQLWZBBBBYOAH-NSHDSACASA-N
XLogP2.74
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-2,2-dimethyl-4-propan-2-yloxane-4-carbonitrile
CID 7560630
(3R)-3-propan-2-yloxolane-3-carbonitrile
CID 164551100
4-bromo-2,2-dimethyloxane-4-carbonitrile
CID 83086923
1-propan-2-ylcyclopentane-1-carbonitrile
CID 58070341
ethane;4-propan-2-ylthiane-4-carbonitrile
CID 169229227
2-[(4S)-2,2-dimethyl-4-propan-2-yloxan-4-yl]acetate
CID 7093191
4-(4-methoxyphenyl)-2,2-dimethyloxane-4-carbonitrile
CID 4025749
4-propan-2-yl-2-oxabicyclo[2.1.1]hexane-1-carbonitrile
CID 176797202
2,2,5-trimethyl-5-propan-2-yloxane
CID 134573916
2-[4-(4-fluorophenyl)-2,2-dimethyloxan-4-yl]acetonitrile
CID 3100237
4-[(1-butan-2-ylpyrazol-3-yl)methyl]-2,2-dimethyloxan-4-ol
CID 64783123
1-[(1R)-1-aminoethyl]cyclohexane-1-carbonitrile
CID 90188552

Frequently Asked Questions

What is the IUPAC name of (4R)-2,2-dimethyl-4-propan-2-yloxane-4-carbonitrile?
The IUPAC name of (4R)-2,2-dimethyl-4-propan-2-yloxane-4-carbonitrile (CID 7560631) is (4R)-2,2-dimethyl-4-propan-2-yloxane-4-carbonitrile.
What is the SMILES notation for (4R)-2,2-dimethyl-4-propan-2-yloxane-4-carbonitrile?
The canonical SMILES for (4R)-2,2-dimethyl-4-propan-2-yloxane-4-carbonitrile is CC(C)[C@@]1(C#N)CCOC(C)(C)C1.
What is the InChIKey of (4R)-2,2-dimethyl-4-propan-2-yloxane-4-carbonitrile?
The InChIKey is RUQLWZBBBBYOAH-NSHDSACASA-N. The full InChI is InChI=1S/C11H19NO/c1-9(2)11(8-12)5-6-13-10(3,4)7-11/h9H,5-7H2,1-4H3/t11-/m0/s1.
What are the key properties of (4R)-2,2-dimethyl-4-propan-2-yloxane-4-carbonitrile?
(4R)-2,2-dimethyl-4-propan-2-yloxane-4-carbonitrile has a molecular weight of 181.28 g/mol, XLogP of 2.74, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2,2-dimethyl-4-propan-2-yloxane-4-carbonitrile is sourced from PubChem (CID 7560631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).