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

C8H14O2 — CID 44719359

IUPAC1-methoxy-2-methylhex-5-en-3-one
SMILESC=CCC(=O)C(C)COC
InChIInChI=1S/C8H14O2/c1-4-5-8(9)7(2)6-10-3/h4,7H,1,5-6H2,2-3H3
InChIKeyFIDMKURDIUDAFN-UHFFFAOYSA-N
MW142.20 g/mol
LogP1.41
Rot. Bonds5

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

1-methoxy-2-methylhex-5-en-3-one (PubChem CID 44719359) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 1-methoxy-2-methylhex-5-en-3-one.

Molecular Properties

Compound Name1-methoxy-2-methylhex-5-en-3-one
PubChem CID44719359
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name1-methoxy-2-methylhex-5-en-3-one
SMILESC=CCC(=O)C(C)COC
InChIInChI=1S/C8H14O2/c1-4-5-8(9)7(2)6-10-3/h4,7H,1,5-6H2,2-3H3
InChIKeyFIDMKURDIUDAFN-UHFFFAOYSA-N
XLogP1.41
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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5-ethoxy-6-methylhept-1-en-4-one
CID 116708606
2-(hex-5-en-2-ylamino)-3-methoxypropanamide
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3-methoxy-2-methylpropanamide;hydrochloride
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1-methoxy-2,5-dimethylhex-4-en-3-one
CID 130028350
(2S,3S)-2-(methoxymethyl)-3-methylhex-5-enoic acid
CID 146545497
methyl 4-methyl-3-oxohept-6-enoate
CID 14289171
N-[(2S)-1-methoxypropan-2-yl]prop-2-enamide
CID 118137430
(Z)-2-propan-2-yl-3-prop-2-enylbut-2-enedioate
CID 23164246
1-methoxy-2-methylhex-5-en-3-ol
CID 116502507
1-methoxypropan-2-ol;tris(prop-1-ene)
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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-methylhex-5-en-3-one?
The IUPAC name of 1-methoxy-2-methylhex-5-en-3-one (CID 44719359) is 1-methoxy-2-methylhex-5-en-3-one.
What is the SMILES notation for 1-methoxy-2-methylhex-5-en-3-one?
The canonical SMILES for 1-methoxy-2-methylhex-5-en-3-one is C=CCC(=O)C(C)COC.
What is the InChIKey of 1-methoxy-2-methylhex-5-en-3-one?
The InChIKey is FIDMKURDIUDAFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-4-5-8(9)7(2)6-10-3/h4,7H,1,5-6H2,2-3H3.
What are the key properties of 1-methoxy-2-methylhex-5-en-3-one?
1-methoxy-2-methylhex-5-en-3-one has a molecular weight of 142.20 g/mol, XLogP of 1.41, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-methylhex-5-en-3-one is sourced from PubChem (CID 44719359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).