4-(2-methoxyethyl)hept-6-en-2-one

C10H18O2 — CID 58749987

IUPAC4-(2-methoxyethyl)hept-6-en-2-one
SMILESC=CCC(CCOC)CC(C)=O
InChIInChI=1S/C10H18O2/c1-4-5-10(6-7-12-3)8-9(2)11/h4,10H,1,5-8H2,2-3H3
InChIKeyAMERXWNBYMTEND-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.19
Rot. Bonds7

About 4-(2-methoxyethyl)hept-6-en-2-one

4-(2-methoxyethyl)hept-6-en-2-one (PubChem CID 58749987) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 4-(2-methoxyethyl)hept-6-en-2-one.

Molecular Properties

Compound Name4-(2-methoxyethyl)hept-6-en-2-one
PubChem CID58749987
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name4-(2-methoxyethyl)hept-6-en-2-one
SMILESC=CCC(CCOC)CC(C)=O
InChIInChI=1S/C10H18O2/c1-4-5-10(6-7-12-3)8-9(2)11/h4,10H,1,5-8H2,2-3H3
InChIKeyAMERXWNBYMTEND-UHFFFAOYSA-N
XLogP2.19
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethyl)hept-6-en-2-one?
The IUPAC name of 4-(2-methoxyethyl)hept-6-en-2-one (CID 58749987) is 4-(2-methoxyethyl)hept-6-en-2-one.
What is the SMILES notation for 4-(2-methoxyethyl)hept-6-en-2-one?
The canonical SMILES for 4-(2-methoxyethyl)hept-6-en-2-one is C=CCC(CCOC)CC(C)=O.
What is the InChIKey of 4-(2-methoxyethyl)hept-6-en-2-one?
The InChIKey is AMERXWNBYMTEND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-4-5-10(6-7-12-3)8-9(2)11/h4,10H,1,5-8H2,2-3H3.
What are the key properties of 4-(2-methoxyethyl)hept-6-en-2-one?
4-(2-methoxyethyl)hept-6-en-2-one has a molecular weight of 170.25 g/mol, XLogP of 2.19, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethyl)hept-6-en-2-one is sourced from PubChem (CID 58749987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).