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

C8H14O2 — CID 116708524

IUPAC4-methoxy-5-methylhex-1-en-3-one
SMILESC=CC(=O)C(OC)C(C)C
InChIInChI=1S/C8H14O2/c1-5-7(9)8(10-4)6(2)3/h5-6,8H,1H2,2-4H3
InChIKeyCCUDDWQMSLANOA-UHFFFAOYSA-N
MW142.20 g/mol
LogP1.41
Rot. Bonds4

About 4-methoxy-5-methylhex-1-en-3-one

4-methoxy-5-methylhex-1-en-3-one (PubChem CID 116708524) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 4-methoxy-5-methylhex-1-en-3-one.

Molecular Properties

Compound Name4-methoxy-5-methylhex-1-en-3-one
PubChem CID116708524
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name4-methoxy-5-methylhex-1-en-3-one
SMILESC=CC(=O)C(OC)C(C)C
InChIInChI=1S/C8H14O2/c1-5-7(9)8(10-4)6(2)3/h5-6,8H,1H2,2-4H3
InChIKeyCCUDDWQMSLANOA-UHFFFAOYSA-N
XLogP1.41
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 ≤ 51.41
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

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CID 53423746
4-(2,2-Dimethyl-4-oxohex-5-en-3-yl)oxy-5,5-dimethylhex-1-en-3-one
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4-Ethyl-4-(3-methylbutoxy)hex-1-en-3-one
CID 88559794
4-(4-Ethylhexan-2-yloxy)pent-1-en-3-one
CID 89162365
4-Hydroxy-5-methylhex-1-en-3-one
CID 103847213
4-(4-Ethoxy-4-methylpentan-2-yl)oxy-4-methylpent-1-en-3-one
CID 118070192
(3S)-4-methyl-3-pent-4-enoxypentan-2-one
CID 118175687
2-(2-Methylpropyl)furan-3-one
CID 139707457
3-Ethoxy-3-methylhex-5-ene-2,4-dione
CID 141184854
2-Tert-butylfuran-3-one
CID 144798087
4-[3-Methyl-3-[(2-methylpropan-2-yl)oxy]butoxy]hex-1-en-3-one
CID 155455610
2-Methyl-2-propan-2-ylfuran-3-one
CID 13696249

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-5-methylhex-1-en-3-one?
The IUPAC name of 4-methoxy-5-methylhex-1-en-3-one (CID 116708524) is 4-methoxy-5-methylhex-1-en-3-one.
What is the SMILES notation for 4-methoxy-5-methylhex-1-en-3-one?
The canonical SMILES for 4-methoxy-5-methylhex-1-en-3-one is C=CC(=O)C(OC)C(C)C.
What is the InChIKey of 4-methoxy-5-methylhex-1-en-3-one?
The InChIKey is CCUDDWQMSLANOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-5-7(9)8(10-4)6(2)3/h5-6,8H,1H2,2-4H3.
What are the key properties of 4-methoxy-5-methylhex-1-en-3-one?
4-methoxy-5-methylhex-1-en-3-one has a molecular weight of 142.20 g/mol, XLogP of 1.41, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-5-methylhex-1-en-3-one is sourced from PubChem (CID 116708524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).