5-methoxy-2-methylhex-1-en-3-one

C8H14O2 — CID 12576430

IUPAC5-methoxy-2-methylhex-1-en-3-one
SMILESC=C(C)C(=O)CC(C)OC
InChIInChI=1S/C8H14O2/c1-6(2)8(9)5-7(3)10-4/h7H,1,5H2,2-4H3
InChIKeyMHZGFFNZJFWXBO-UHFFFAOYSA-N
MW142.20 g/mol
LogP1.56
Rot. Bonds4

About 5-methoxy-2-methylhex-1-en-3-one

5-methoxy-2-methylhex-1-en-3-one (PubChem CID 12576430) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 5-methoxy-2-methylhex-1-en-3-one.

Molecular Properties

Compound Name5-methoxy-2-methylhex-1-en-3-one
PubChem CID12576430
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name5-methoxy-2-methylhex-1-en-3-one
SMILESC=C(C)C(=O)CC(C)OC
InChIInChI=1S/C8H14O2/c1-6(2)8(9)5-7(3)10-4/h7H,1,5H2,2-4H3
InChIKeyMHZGFFNZJFWXBO-UHFFFAOYSA-N
XLogP1.56
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-6-methoxy-3-methylhept-2-en-4-one
CID 134972532
5-Ethoxy-2-methylhex-1-en-3-one
CID 14450735
5-Methoxy-2-methylpent-1-en-3-one
CID 14907390
3-Methyl-1-(oxiran-2-yl)but-3-en-2-one
CID 17880287
5-Hydroxy-2-methylhex-1-en-3-one
CID 20433177
5-Hydroperoxy-2-methylhex-1-en-3-one
CID 20579884
5-Methoxy-2,4-dimethylpent-1-en-3-one
CID 20663748
2,3,5-Trimethyl-2,3-dihydropyran-4-one
CID 21286956
5-Methoxy-2,4-dimethylhex-1-en-3-one
CID 23565616
2-Methyl-6-propan-2-yloxyhex-1-en-3-one
CID 58298905
2-Methyl-5-propan-2-yloxypent-1-en-3-one
CID 58330229
6-Methoxy-2-methylhex-1-en-3-one
CID 79191134

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-methylhex-1-en-3-one?
The IUPAC name of 5-methoxy-2-methylhex-1-en-3-one (CID 12576430) is 5-methoxy-2-methylhex-1-en-3-one.
What is the SMILES notation for 5-methoxy-2-methylhex-1-en-3-one?
The canonical SMILES for 5-methoxy-2-methylhex-1-en-3-one is C=C(C)C(=O)CC(C)OC.
What is the InChIKey of 5-methoxy-2-methylhex-1-en-3-one?
The InChIKey is MHZGFFNZJFWXBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-6(2)8(9)5-7(3)10-4/h7H,1,5H2,2-4H3.
What are the key properties of 5-methoxy-2-methylhex-1-en-3-one?
5-methoxy-2-methylhex-1-en-3-one has a molecular weight of 142.20 g/mol, XLogP of 1.56, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-methylhex-1-en-3-one is sourced from PubChem (CID 12576430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).