6-ethyl-2-methoxy-2-methyldecan-5-one

C14H28O2 — CID 103024705

IUPAC6-ethyl-2-methoxy-2-methyldecan-5-one
SMILESCCCCC(CC)C(=O)CCC(C)(C)OC
InChIInChI=1S/C14H28O2/c1-6-8-9-12(7-2)13(15)10-11-14(3,4)16-5/h12H,6-11H2,1-5H3
InChIKeyRPCOSVUNOOCWDG-UHFFFAOYSA-N
MW228.38 g/mol
LogP3.98
Rot. Bonds9

About 6-ethyl-2-methoxy-2-methyldecan-5-one

6-ethyl-2-methoxy-2-methyldecan-5-one (PubChem CID 103024705) has the molecular formula C14H28O2 and a molecular weight of 228.38 g/mol. Its IUPAC name is 6-ethyl-2-methoxy-2-methyldecan-5-one.

Molecular Properties

Compound Name6-ethyl-2-methoxy-2-methyldecan-5-one
PubChem CID103024705
Molecular FormulaC14H28O2
Molecular Weight228.38 g/mol
Exact Mass228.21
IUPAC Name6-ethyl-2-methoxy-2-methyldecan-5-one
SMILESCCCCC(CC)C(=O)CCC(C)(C)OC
InChIInChI=1S/C14H28O2/c1-6-8-9-12(7-2)13(15)10-11-14(3,4)16-5/h12H,6-11H2,1-5H3
InChIKeyRPCOSVUNOOCWDG-UHFFFAOYSA-N
XLogP3.98
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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4-(2-Methoxypropan-2-yl)cyclohexan-1-one
CID 126481329
1-(2,2-Dimethyloxan-4-yl)pentan-1-one
CID 2836706
1-(2-Ethyl-2-methyloxan-4-yl)butan-1-one
CID 3115876
5-Methoxy-5-methylundecane-2,4-dione
CID 12416286
2,6-Dimethyl-6-methoxy-3,5-dodecanedione
CID 13719533
10-Methoxy-6,10-dimethylundecan-2-one
CID 15595758
(4-Oxo-2-propylnonyl) acetate
CID 90717395
1-(2,2-Dimethyloxan-3-yl)propan-2-one
CID 14027507
3-(2-Methoxyethyl)octan-2-one
CID 25062094

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-methoxy-2-methyldecan-5-one?
The IUPAC name of 6-ethyl-2-methoxy-2-methyldecan-5-one (CID 103024705) is 6-ethyl-2-methoxy-2-methyldecan-5-one.
What is the SMILES notation for 6-ethyl-2-methoxy-2-methyldecan-5-one?
The canonical SMILES for 6-ethyl-2-methoxy-2-methyldecan-5-one is CCCCC(CC)C(=O)CCC(C)(C)OC.
What is the InChIKey of 6-ethyl-2-methoxy-2-methyldecan-5-one?
The InChIKey is RPCOSVUNOOCWDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2/c1-6-8-9-12(7-2)13(15)10-11-14(3,4)16-5/h12H,6-11H2,1-5H3.
What are the key properties of 6-ethyl-2-methoxy-2-methyldecan-5-one?
6-ethyl-2-methoxy-2-methyldecan-5-one has a molecular weight of 228.38 g/mol, XLogP of 3.98, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-methoxy-2-methyldecan-5-one is sourced from PubChem (CID 103024705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).