(5R)-7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]-5-propan-2-yloctane-2,6-dione

C17H32O3 — CID 163612806

IUPAC(5R)-7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]-5-propan-2-yloctane-2,6-dione
SMILESCC(C)[C@@H](CCC(=O)COC(C)(C)C)C(=O)C(C)(C)C
InChIInChI=1S/C17H32O3/c1-12(2)14(15(19)16(3,4)5)10-9-13(18)11-20-17(6,7)8/h12,14H,9-11H2,1-8H3/t14-/m1/s1
InChIKeyHHQWAKJADIHYNB-CQSZACIVSA-N
MW284.44 g/mol
LogP4.04
Rot. Bonds7

About (5R)-7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]-5-propan-2-yloctane-2,6-dione

(5R)-7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]-5-propan-2-yloctane-2,6-dione (PubChem CID 163612806) has the molecular formula C17H32O3 and a molecular weight of 284.44 g/mol. Its IUPAC name is (5R)-7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]-5-propan-2-yloctane-2,6-dione.

Molecular Properties

Compound Name(5R)-7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]-5-propan-2-yloctane-2,6-dione
PubChem CID163612806
Molecular FormulaC17H32O3
Molecular Weight284.44 g/mol
Exact Mass284.24
IUPAC Name(5R)-7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]-5-propan-2-yloctane-2,6-dione
SMILESCC(C)[C@@H](CCC(=O)COC(C)(C)C)C(=O)C(C)(C)C
InChIInChI=1S/C17H32O3/c1-12(2)14(15(19)16(3,4)5)10-9-13(18)11-20-17(6,7)8/h12,14H,9-11H2,1-8H3/t14-/m1/s1
InChIKeyHHQWAKJADIHYNB-CQSZACIVSA-N
XLogP4.04
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (5R)-7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]-5-propan-2-yloctane-2,6-dione with MolForge

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Related Compounds

(6R,10S,14S,23S,27R)-2-methoxy-2,6,10,14,19,23,27,31-octamethyldotriacontan-3-one
CID 445195
(6S,10S,27R)-2-methoxy-2,6,10,14,19,23,27,31-octamethyldotriacontan-3-one
CID 446631
(23S)-2-methoxy-2,6,10,14,19,23,27,31-octamethyldotriacontan-3-one
CID 447191
(6S)-2-methoxy-2,6,10,14,19,23,27,31-octamethyldotriacontan-3-one
CID 11963521
2,6-Dimethyl-2-methoxy-4-pivaloyloctane-3,7-dione
CID 15210833
(4S)-4-fluoro-7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]octane-2,6-dione
CID 163464648
(4R)-4-fluoro-7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]octane-2,6-dione
CID 163464649
(5R)-5-fluoro-7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]octane-2,6-dione
CID 163464650
(5S)-5-fluoro-7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]octane-2,6-dione
CID 163464651
Ethyl 3,3,4,4-tetraethyl-5-methyl-2-oxoheptanoate
CID 22002188
1-(2-Acetyl-4,4,5-trimethyloxolan-3-yl)-4,4-dimethylpentan-2-one
CID 58875389
12,12,13,13,14,14-Hexamethyl-oxacyclotetradecan-3-one
CID 67248609

Frequently Asked Questions

What is the IUPAC name of (5R)-7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]-5-propan-2-yloctane-2,6-dione?
The IUPAC name of (5R)-7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]-5-propan-2-yloctane-2,6-dione (CID 163612806) is (5R)-7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]-5-propan-2-yloctane-2,6-dione.
What is the SMILES notation for (5R)-7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]-5-propan-2-yloctane-2,6-dione?
The canonical SMILES for (5R)-7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]-5-propan-2-yloctane-2,6-dione is CC(C)[C@@H](CCC(=O)COC(C)(C)C)C(=O)C(C)(C)C.
What is the InChIKey of (5R)-7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]-5-propan-2-yloctane-2,6-dione?
The InChIKey is HHQWAKJADIHYNB-CQSZACIVSA-N. The full InChI is InChI=1S/C17H32O3/c1-12(2)14(15(19)16(3,4)5)10-9-13(18)11-20-17(6,7)8/h12,14H,9-11H2,1-8H3/t14-/m1/s1.
What are the key properties of (5R)-7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]-5-propan-2-yloctane-2,6-dione?
(5R)-7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]-5-propan-2-yloctane-2,6-dione has a molecular weight of 284.44 g/mol, XLogP of 4.04, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]-5-propan-2-yloctane-2,6-dione is sourced from PubChem (CID 163612806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).