2-methoxy-7-methylidenenonan-5-one

C11H20O2 — CID 105113355

IUPAC2-methoxy-7-methylidenenonan-5-one
SMILESC=C(CC)CC(=O)CCC(C)OC
InChIInChI=1S/C11H20O2/c1-5-9(2)8-11(12)7-6-10(3)13-4/h10H,2,5-8H2,1,3-4H3
InChIKeySDKCRFMVAGPTPT-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.73
Rot. Bonds7

About 2-methoxy-7-methylidenenonan-5-one

2-methoxy-7-methylidenenonan-5-one (PubChem CID 105113355) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 2-methoxy-7-methylidenenonan-5-one.

Molecular Properties

Compound Name2-methoxy-7-methylidenenonan-5-one
PubChem CID105113355
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name2-methoxy-7-methylidenenonan-5-one
SMILESC=C(CC)CC(=O)CCC(C)OC
InChIInChI=1S/C11H20O2/c1-5-9(2)8-11(12)7-6-10(3)13-4/h10H,2,5-8H2,1,3-4H3
InChIKeySDKCRFMVAGPTPT-UHFFFAOYSA-N
XLogP2.73
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.73
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

1,1-dimethoxy-4-methylidenehexan-2-one
CID 79492297
2-amino-6-methylideneoctan-4-one
CID 116556046
1-(4-ethylphenyl)-5-methoxyhexan-2-one
CID 105081808
6-methoxyheptan-3-ol;2-methylprop-2-enoic acid
CID 174791222
3-amino-2-methyl-7-methylidenenonan-5-one
CID 116606461
2-hydroxy-4-(4-methoxypentanoylamino)butanoic acid
CID 107832505
2-ethoxy-5-methylideneheptan-3-one
CID 66046478
[(3S)-3-methoxybutyl] propanoate
CID 102330926
1-(1-butan-2-ylpyrazol-3-yl)-5-methoxyhexan-2-one
CID 105105528
1-(ethylamino)-4-methylidenehexan-2-one
CID 116562696
1,1-diethoxy-4-methylidenehexan-2-one
CID 79495159
1-(4-iodophenyl)-5-methoxyhexan-2-one
CID 105103190

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-7-methylidenenonan-5-one?
The IUPAC name of 2-methoxy-7-methylidenenonan-5-one (CID 105113355) is 2-methoxy-7-methylidenenonan-5-one.
What is the SMILES notation for 2-methoxy-7-methylidenenonan-5-one?
The canonical SMILES for 2-methoxy-7-methylidenenonan-5-one is C=C(CC)CC(=O)CCC(C)OC.
What is the InChIKey of 2-methoxy-7-methylidenenonan-5-one?
The InChIKey is SDKCRFMVAGPTPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-5-9(2)8-11(12)7-6-10(3)13-4/h10H,2,5-8H2,1,3-4H3.
What are the key properties of 2-methoxy-7-methylidenenonan-5-one?
2-methoxy-7-methylidenenonan-5-one has a molecular weight of 184.28 g/mol, XLogP of 2.73, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-7-methylidenenonan-5-one is sourced from PubChem (CID 105113355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).