4-methyl-2,5-bis[(2-methylpropan-2-yl)oxy]hexan-3-one

C15H30O3 — CID 123694757

IUPAC4-methyl-2,5-bis[(2-methylpropan-2-yl)oxy]hexan-3-one
SMILESCC(OC(C)(C)C)C(=O)C(C)C(C)OC(C)(C)C
InChIInChI=1S/C15H30O3/c1-10(11(2)17-14(4,5)6)13(16)12(3)18-15(7,8)9/h10-12H,1-9H3
InChIKeyRSEVKILFLJWDLH-UHFFFAOYSA-N
MW258.40 g/mol
LogP3.60
Rot. Bonds5

About 4-methyl-2,5-bis[(2-methylpropan-2-yl)oxy]hexan-3-one

4-methyl-2,5-bis[(2-methylpropan-2-yl)oxy]hexan-3-one (PubChem CID 123694757) has the molecular formula C15H30O3 and a molecular weight of 258.40 g/mol. Its IUPAC name is 4-methyl-2,5-bis[(2-methylpropan-2-yl)oxy]hexan-3-one.

Molecular Properties

Compound Name4-methyl-2,5-bis[(2-methylpropan-2-yl)oxy]hexan-3-one
PubChem CID123694757
Molecular FormulaC15H30O3
Molecular Weight258.40 g/mol
Exact Mass258.22
IUPAC Name4-methyl-2,5-bis[(2-methylpropan-2-yl)oxy]hexan-3-one
SMILESCC(OC(C)(C)C)C(=O)C(C)C(C)OC(C)(C)C
InChIInChI=1S/C15H30O3/c1-10(11(2)17-14(4,5)6)13(16)12(3)18-15(7,8)9/h10-12H,1-9H3
InChIKeyRSEVKILFLJWDLH-UHFFFAOYSA-N
XLogP3.60
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.40
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2R,3R)-2-amino-3-[(2-methylpropan-2-yl)oxy]butanoate;hydrochloride
CID 53393715
trimethoxysilyl 2-[(2-methylpropan-2-yl)oxy]propanoate
CID 175435798
(2S,3R)-2-amino-N-methoxy-3-[(2-methylpropan-2-yl)oxy]butanamide
CID 153463762
2-(methylamino)-3-[(2-methylpropan-2-yl)oxy]butanoic acid
CID 15601072
tert-butyl (2S,3S)-2-amino-3-[(2-methylpropan-2-yl)oxy]butanoate
CID 91539834
(2S)-2-(methylamino)-3-[(2-methylpropan-2-yl)oxy]butanoic acid
CID 87326965
(2S,3R)-2-ethyl-3-[(2-methylpropan-2-yl)oxy]butanoic acid
CID 143229027
hydroxy-[3-[(2-methylpropan-2-yl)oxy]butan-2-yl]-oxophosphanium
CID 139581788
methyl (2R)-2-(dimethylsilylamino)-3-[(2-methylpropan-2-yl)oxy]butanoate
CID 173345702
5-(4,4-dimethyl-3-oxopentan-2-yl)oxy-4,4,5-trimethyl-2-[(2-methylpropan-2-yl)oxy]hexan-3-one
CID 123158009
dimethyl (2R,3R)-2,3-bis[(2-methylpropan-2-yl)oxy]butanedioate
CID 14143488
2,5-bis(2-aminopropan-2-yloxy)hexane-3,4-dione
CID 163545555

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2,5-bis[(2-methylpropan-2-yl)oxy]hexan-3-one?
The IUPAC name of 4-methyl-2,5-bis[(2-methylpropan-2-yl)oxy]hexan-3-one (CID 123694757) is 4-methyl-2,5-bis[(2-methylpropan-2-yl)oxy]hexan-3-one.
What is the SMILES notation for 4-methyl-2,5-bis[(2-methylpropan-2-yl)oxy]hexan-3-one?
The canonical SMILES for 4-methyl-2,5-bis[(2-methylpropan-2-yl)oxy]hexan-3-one is CC(OC(C)(C)C)C(=O)C(C)C(C)OC(C)(C)C.
What is the InChIKey of 4-methyl-2,5-bis[(2-methylpropan-2-yl)oxy]hexan-3-one?
The InChIKey is RSEVKILFLJWDLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O3/c1-10(11(2)17-14(4,5)6)13(16)12(3)18-15(7,8)9/h10-12H,1-9H3.
What are the key properties of 4-methyl-2,5-bis[(2-methylpropan-2-yl)oxy]hexan-3-one?
4-methyl-2,5-bis[(2-methylpropan-2-yl)oxy]hexan-3-one has a molecular weight of 258.40 g/mol, XLogP of 3.60, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2,5-bis[(2-methylpropan-2-yl)oxy]hexan-3-one is sourced from PubChem (CID 123694757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).