4-ethyl-1,1-dimethoxyhexan-2-one

C10H20O3 — CID 82920405

IUPAC4-ethyl-1,1-dimethoxyhexan-2-one
SMILESCCC(CC)CC(=O)C(OC)OC
InChIInChI=1S/C10H20O3/c1-5-8(6-2)7-9(11)10(12-3)13-4/h8,10H,5-7H2,1-4H3
InChIKeyZBTCWSZOSAMXKD-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.00
Rot. Bonds7

About 4-ethyl-1,1-dimethoxyhexan-2-one

4-ethyl-1,1-dimethoxyhexan-2-one (PubChem CID 82920405) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is 4-ethyl-1,1-dimethoxyhexan-2-one.

Molecular Properties

Compound Name4-ethyl-1,1-dimethoxyhexan-2-one
PubChem CID82920405
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Name4-ethyl-1,1-dimethoxyhexan-2-one
SMILESCCC(CC)CC(=O)C(OC)OC
InChIInChI=1S/C10H20O3/c1-5-8(6-2)7-9(11)10(12-3)13-4/h8,10H,5-7H2,1-4H3
InChIKeyZBTCWSZOSAMXKD-UHFFFAOYSA-N
XLogP2.00
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

6-ethyl-3-methoxy-2,2-dimethyloctan-4-one
CID 116709581
1,1-dimethoxy-4,4-bis(methylsulfanyl)butan-2-one
CID 123651540
1,1-dimethoxy-5-methylheptane-2,4-dione
CID 165474571
1,1-dimethoxy-4-methylidenehexan-2-one
CID 79492297
4-ethyl-1-propan-2-yloxyhexan-2-one
CID 105125435
methyl 4-ethyl-2-methylidenehexanoate
CID 126640126
3-ethylhexanedioic acid
CID 18477236
1,1-dimethoxy-5-methylhexan-2-one
CID 79493204
6-ethyl-3-methoxy-3-methyloctan-4-one
CID 116746584
methyl 6-ethyl-4-oxooct-2-ynoate
CID 15283523
6-ethyl-3-methoxy-2,2-dimethyldecan-4-one
CID 116709605
5,5,5-trifluoro-1,1-dimethoxypentan-2-one
CID 79493425

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1,1-dimethoxyhexan-2-one?
The IUPAC name of 4-ethyl-1,1-dimethoxyhexan-2-one (CID 82920405) is 4-ethyl-1,1-dimethoxyhexan-2-one.
What is the SMILES notation for 4-ethyl-1,1-dimethoxyhexan-2-one?
The canonical SMILES for 4-ethyl-1,1-dimethoxyhexan-2-one is CCC(CC)CC(=O)C(OC)OC.
What is the InChIKey of 4-ethyl-1,1-dimethoxyhexan-2-one?
The InChIKey is ZBTCWSZOSAMXKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3/c1-5-8(6-2)7-9(11)10(12-3)13-4/h8,10H,5-7H2,1-4H3.
What are the key properties of 4-ethyl-1,1-dimethoxyhexan-2-one?
4-ethyl-1,1-dimethoxyhexan-2-one has a molecular weight of 188.27 g/mol, XLogP of 2.00, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1,1-dimethoxyhexan-2-one is sourced from PubChem (CID 82920405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).