8-methoxy-3-methylideneoctan-2-one

C10H18O2 — CID 23393119

IUPAC8-methoxy-3-methylideneoctan-2-one
SMILESC=C(CCCCCOC)C(C)=O
InChIInChI=1S/C10H18O2/c1-9(10(2)11)7-5-4-6-8-12-3/h1,4-8H2,2-3H3
InChIKeyWWAAKAWIUQXNLV-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.34
Rot. Bonds7

About 8-methoxy-3-methylideneoctan-2-one

8-methoxy-3-methylideneoctan-2-one (PubChem CID 23393119) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 8-methoxy-3-methylideneoctan-2-one.

Molecular Properties

Compound Name8-methoxy-3-methylideneoctan-2-one
PubChem CID23393119
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name8-methoxy-3-methylideneoctan-2-one
SMILESC=C(CCCCCOC)C(C)=O
InChIInChI=1S/C10H18O2/c1-9(10(2)11)7-5-4-6-8-12-3/h1,4-8H2,2-3H3
InChIKeyWWAAKAWIUQXNLV-UHFFFAOYSA-N
XLogP2.34
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 ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Methyl 10-methylene-9-oxooctadecanoate
CID 14582211
Methyl 9-methylene-8-oxoheptadecanoate
CID 14582212
2-(5-Methoxy-3-methylidenepentyl)-7-methylidenecycloheptan-1-one
CID 393399
(6-Methylidene-9-oxodecyl) acetate
CID 102259507
Ethyl 9-methyl-7-oxodec-9-enoate
CID 135006984
(2R)-2-heptyl-5-methyl-2,3-dihydropyran-4-one
CID 135075580
Ethyl 2-methylidene-6-oxononanoate
CID 138965939
Ethyl 2-methylidene-7-oxononanoate
CID 10262604
Dimethyl 5-methylidene-6-oxoundecanedioate
CID 86058565
1,1,15,15-Tetramethoxy-7-methylidenepentadecan-8-one
CID 86058568
2-Methyl-4-pentylfuran-3-one
CID 13759284
13-Hydroxy-2-methyltridec-1-en-3-one
CID 18419769

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-3-methylideneoctan-2-one?
The IUPAC name of 8-methoxy-3-methylideneoctan-2-one (CID 23393119) is 8-methoxy-3-methylideneoctan-2-one.
What is the SMILES notation for 8-methoxy-3-methylideneoctan-2-one?
The canonical SMILES for 8-methoxy-3-methylideneoctan-2-one is C=C(CCCCCOC)C(C)=O.
What is the InChIKey of 8-methoxy-3-methylideneoctan-2-one?
The InChIKey is WWAAKAWIUQXNLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-9(10(2)11)7-5-4-6-8-12-3/h1,4-8H2,2-3H3.
What are the key properties of 8-methoxy-3-methylideneoctan-2-one?
8-methoxy-3-methylideneoctan-2-one has a molecular weight of 170.25 g/mol, XLogP of 2.34, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-3-methylideneoctan-2-one is sourced from PubChem (CID 23393119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).