3,3-dimethyl-1-(2-methylpropoxy)butan-2-one

C10H20O2 — CID 43798763

IUPAC3,3-dimethyl-1-(2-methylpropoxy)butan-2-one
SMILESCC(C)COCC(=O)C(C)(C)C
InChIInChI=1S/C10H20O2/c1-8(2)6-12-7-9(11)10(3,4)5/h8H,6-7H2,1-5H3
InChIKeyCEUGWSKYNXZXTH-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.27
Rot. Bonds4

About 3,3-dimethyl-1-(2-methylpropoxy)butan-2-one

3,3-dimethyl-1-(2-methylpropoxy)butan-2-one (PubChem CID 43798763) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 3,3-dimethyl-1-(2-methylpropoxy)butan-2-one.

Molecular Properties

Compound Name3,3-dimethyl-1-(2-methylpropoxy)butan-2-one
PubChem CID43798763
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name3,3-dimethyl-1-(2-methylpropoxy)butan-2-one
SMILESCC(C)COCC(=O)C(C)(C)C
InChIInChI=1S/C10H20O2/c1-8(2)6-12-7-9(11)10(3,4)5/h8H,6-7H2,1-5H3
InChIKeyCEUGWSKYNXZXTH-UHFFFAOYSA-N
XLogP2.27
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-(2-methylpropoxy)butan-2-one?
The IUPAC name of 3,3-dimethyl-1-(2-methylpropoxy)butan-2-one (CID 43798763) is 3,3-dimethyl-1-(2-methylpropoxy)butan-2-one.
What is the SMILES notation for 3,3-dimethyl-1-(2-methylpropoxy)butan-2-one?
The canonical SMILES for 3,3-dimethyl-1-(2-methylpropoxy)butan-2-one is CC(C)COCC(=O)C(C)(C)C.
What is the InChIKey of 3,3-dimethyl-1-(2-methylpropoxy)butan-2-one?
The InChIKey is CEUGWSKYNXZXTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-8(2)6-12-7-9(11)10(3,4)5/h8H,6-7H2,1-5H3.
What are the key properties of 3,3-dimethyl-1-(2-methylpropoxy)butan-2-one?
3,3-dimethyl-1-(2-methylpropoxy)butan-2-one has a molecular weight of 172.27 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-(2-methylpropoxy)butan-2-one is sourced from PubChem (CID 43798763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).