1-ethoxy-6-methoxy-6-methylheptan-3-one

C11H22O3 — CID 103024480

IUPAC1-ethoxy-6-methoxy-6-methylheptan-3-one
SMILESCCOCCC(=O)CCC(C)(C)OC
InChIInChI=1S/C11H22O3/c1-5-14-9-7-10(12)6-8-11(2,3)13-4/h5-9H2,1-4H3
InChIKeyDZLDDKRMGVEWIY-UHFFFAOYSA-N
MW202.29 g/mol
LogP2.19
Rot. Bonds8

About 1-ethoxy-6-methoxy-6-methylheptan-3-one

1-ethoxy-6-methoxy-6-methylheptan-3-one (PubChem CID 103024480) has the molecular formula C11H22O3 and a molecular weight of 202.29 g/mol. Its IUPAC name is 1-ethoxy-6-methoxy-6-methylheptan-3-one.

Molecular Properties

Compound Name1-ethoxy-6-methoxy-6-methylheptan-3-one
PubChem CID103024480
Molecular FormulaC11H22O3
Molecular Weight202.29 g/mol
Exact Mass202.16
IUPAC Name1-ethoxy-6-methoxy-6-methylheptan-3-one
SMILESCCOCCC(=O)CCC(C)(C)OC
InChIInChI=1S/C11H22O3/c1-5-14-9-7-10(12)6-8-11(2,3)13-4/h5-9H2,1-4H3
InChIKeyDZLDDKRMGVEWIY-UHFFFAOYSA-N
XLogP2.19
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.29
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(3-methoxy-3-methylbutoxy)butan-2-one
CID 58421309
1-(dimethylamino)-5-methoxy-5-methylhexan-2-one
CID 103035375
8-ethoxy-6-oxooctanoic acid
CID 154310113
2,7-dimethoxy-7-methyloctan-4-one
CID 103035419
8-methoxy-8-methylnonan-3-one
CID 103037503
3-ethyl-3-hydroxy-7-methoxy-7-methyloctan-4-one
CID 103446930
1,9-diethoxynonan-5-one
CID 150666797
3-ethoxy-7-methoxy-2,2,7-trimethyloctan-4-one
CID 103035435
1-O-ethyl 6-O-(3-methoxy-3-methylbutyl) hexanedioate
CID 71397391
5-methoxy-5-methyl-1-(2-methylpropylsulfanyl)hexan-2-one
CID 103035331
N-(3-ethoxypropyl)-3-methoxy-3-methylbutan-1-amine
CID 103033107
1-(2-ethoxyethoxy)-6,6-dimethylheptan-2-one
CID 158892441

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-6-methoxy-6-methylheptan-3-one?
The IUPAC name of 1-ethoxy-6-methoxy-6-methylheptan-3-one (CID 103024480) is 1-ethoxy-6-methoxy-6-methylheptan-3-one.
What is the SMILES notation for 1-ethoxy-6-methoxy-6-methylheptan-3-one?
The canonical SMILES for 1-ethoxy-6-methoxy-6-methylheptan-3-one is CCOCCC(=O)CCC(C)(C)OC.
What is the InChIKey of 1-ethoxy-6-methoxy-6-methylheptan-3-one?
The InChIKey is DZLDDKRMGVEWIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O3/c1-5-14-9-7-10(12)6-8-11(2,3)13-4/h5-9H2,1-4H3.
What are the key properties of 1-ethoxy-6-methoxy-6-methylheptan-3-one?
1-ethoxy-6-methoxy-6-methylheptan-3-one has a molecular weight of 202.29 g/mol, XLogP of 2.19, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-6-methoxy-6-methylheptan-3-one is sourced from PubChem (CID 103024480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).