2-methyl-4-[(2-methylpropan-2-yl)oxy]pentan-3-one

C10H20O2 — CID 12696426

IUPAC2-methyl-4-[(2-methylpropan-2-yl)oxy]pentan-3-one
SMILESCC(C)C(=O)C(C)OC(C)(C)C
InChIInChI=1S/C10H20O2/c1-7(2)9(11)8(3)12-10(4,5)6/h7-8H,1-6H3
InChIKeySXFADJFNGZGJDA-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.42
Rot. Bonds3

About 2-methyl-4-[(2-methylpropan-2-yl)oxy]pentan-3-one

2-methyl-4-[(2-methylpropan-2-yl)oxy]pentan-3-one (PubChem CID 12696426) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 2-methyl-4-[(2-methylpropan-2-yl)oxy]pentan-3-one.

Molecular Properties

Compound Name2-methyl-4-[(2-methylpropan-2-yl)oxy]pentan-3-one
PubChem CID12696426
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name2-methyl-4-[(2-methylpropan-2-yl)oxy]pentan-3-one
SMILESCC(C)C(=O)C(C)OC(C)(C)C
InChIInChI=1S/C10H20O2/c1-7(2)9(11)8(3)12-10(4,5)6/h7-8H,1-6H3
InChIKeySXFADJFNGZGJDA-UHFFFAOYSA-N
XLogP2.42
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-Methylbutoxy)propan-2-one
CID 43798539
1-Ethoxy-4-methylpentan-2-one
CID 316620
2-(2,2-Difluoroethoxy)-2,4-dimethylpentan-3-one
CID 89691997
2-(2-Fluoroethoxy)-2,4-dimethylpentan-3-one
CID 89692039
1,1,1-Trifluoro-4-methyl-2-[(2-methylpropan-2-yl)oxy]pentan-3-one
CID 170265458
2,4-Dimethyl-2-(2,2,3,3-tetrafluoropropoxy)pentan-3-one
CID 176614512
3-Methoxy-5-methylhexan-2-one
CID 58962142
(4-Methyl-3-oxopentan-2-yl) 2,2-dimethylpropanoate
CID 89004642
(2,5-Dimethyl-4-oxohexan-3-yl) acetate
CID 12442417
2-Methoxy-2,4-dimethylpentan-3-one
CID 12442412
(4-Methyl-3-oxopentan-2-yl) acetate
CID 12442414
2-Ethoxy-2-methylpentan-3-one
CID 12696410

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(2-methylpropan-2-yl)oxy]pentan-3-one?
The IUPAC name of 2-methyl-4-[(2-methylpropan-2-yl)oxy]pentan-3-one (CID 12696426) is 2-methyl-4-[(2-methylpropan-2-yl)oxy]pentan-3-one.
What is the SMILES notation for 2-methyl-4-[(2-methylpropan-2-yl)oxy]pentan-3-one?
The canonical SMILES for 2-methyl-4-[(2-methylpropan-2-yl)oxy]pentan-3-one is CC(C)C(=O)C(C)OC(C)(C)C.
What is the InChIKey of 2-methyl-4-[(2-methylpropan-2-yl)oxy]pentan-3-one?
The InChIKey is SXFADJFNGZGJDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-7(2)9(11)8(3)12-10(4,5)6/h7-8H,1-6H3.
What are the key properties of 2-methyl-4-[(2-methylpropan-2-yl)oxy]pentan-3-one?
2-methyl-4-[(2-methylpropan-2-yl)oxy]pentan-3-one has a molecular weight of 172.27 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(2-methylpropan-2-yl)oxy]pentan-3-one is sourced from PubChem (CID 12696426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).