5-methoxy-3-methylidenepentan-2-one;bis(5-methoxy-2-methylpent-1-en-3-one)

C21H36O6 — CID 91201755

IUPAC5-methoxy-3-methylidenepentan-2-one;bis(5-methoxy-2-methylpent-1-en-3-one)
SMILESC=C(C)C(=O)CCOC.C=C(C)C(=O)CCOC.C=C(CCOC)C(C)=O
InChIInChI=1S/3C7H12O2/c1-6(7(2)8)4-5-9-3;2*1-6(2)7(8)4-5-9-3/h3*1,4-5H2,2-3H3
InChIKeyLBHCWLVHIJCYSQ-UHFFFAOYSA-N
MW384.51 g/mol
LogP3.50
Rot. Bonds12

About 5-methoxy-3-methylidenepentan-2-one;bis(5-methoxy-2-methylpent-1-en-3-one)

5-methoxy-3-methylidenepentan-2-one;bis(5-methoxy-2-methylpent-1-en-3-one) (PubChem CID 91201755) has the molecular formula C21H36O6 and a molecular weight of 384.51 g/mol. Its IUPAC name is 5-methoxy-3-methylidenepentan-2-one;bis(5-methoxy-2-methylpent-1-en-3-one).

Molecular Properties

Compound Name5-methoxy-3-methylidenepentan-2-one;bis(5-methoxy-2-methylpent-1-en-3-one)
PubChem CID91201755
Molecular FormulaC21H36O6
Molecular Weight384.51 g/mol
Exact Mass384.25
IUPAC Name5-methoxy-3-methylidenepentan-2-one;bis(5-methoxy-2-methylpent-1-en-3-one)
SMILESC=C(C)C(=O)CCOC.C=C(C)C(=O)CCOC.C=C(CCOC)C(C)=O
InChIInChI=1S/3C7H12O2/c1-6(7(2)8)4-5-9-3;2*1-6(2)7(8)4-5-9-3/h3*1,4-5H2,2-3H3
InChIKeyLBHCWLVHIJCYSQ-UHFFFAOYSA-N
XLogP3.50
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.51
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(4-methyl-3-oxopent-4-enyl) carbamate
CID 137378458
(4-methyl-3-oxopent-4-enyl) 2-methylprop-2-enoate
CID 18739125
1,2-dimethoxyethane;methyl 2-methylprop-2-enoate
CID 175106203
methane;1-methoxy-3-methylbut-3-en-2-one
CID 159886470
(4-methyl-3-oxopent-4-enyl) butanoate
CID 170015933
1-(2-methoxyethylamino)-3-methylbut-3-en-2-one
CID 116591519
6-ethenoxy-2-methylhex-1-en-3-one
CID 59637756
1-methoxy-6-methylhept-6-en-3-one
CID 114473504
7-methoxy-2-methylhept-1-en-3-one;yttrium
CID 59537182
5-[dimethoxy(propyl)silyl]oxy-2-methylpent-1-en-3-one
CID 150062976
2-methyl-5-[2-[2-[2-[2-(3-oxopent-4-enoxy)ethoxy]ethoxy]ethoxy]ethoxy]pent-1-en-3-one
CID 90191283
2-methyl-7-silyloxyhept-1-en-3-one
CID 150129345

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-methylidenepentan-2-one;bis(5-methoxy-2-methylpent-1-en-3-one)?
The IUPAC name of 5-methoxy-3-methylidenepentan-2-one;bis(5-methoxy-2-methylpent-1-en-3-one) (CID 91201755) is 5-methoxy-3-methylidenepentan-2-one;bis(5-methoxy-2-methylpent-1-en-3-one).
What is the SMILES notation for 5-methoxy-3-methylidenepentan-2-one;bis(5-methoxy-2-methylpent-1-en-3-one)?
The canonical SMILES for 5-methoxy-3-methylidenepentan-2-one;bis(5-methoxy-2-methylpent-1-en-3-one) is C=C(C)C(=O)CCOC.C=C(C)C(=O)CCOC.C=C(CCOC)C(C)=O.
What is the InChIKey of 5-methoxy-3-methylidenepentan-2-one;bis(5-methoxy-2-methylpent-1-en-3-one)?
The InChIKey is LBHCWLVHIJCYSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C7H12O2/c1-6(7(2)8)4-5-9-3;2*1-6(2)7(8)4-5-9-3/h3*1,4-5H2,2-3H3.
What are the key properties of 5-methoxy-3-methylidenepentan-2-one;bis(5-methoxy-2-methylpent-1-en-3-one)?
5-methoxy-3-methylidenepentan-2-one;bis(5-methoxy-2-methylpent-1-en-3-one) has a molecular weight of 384.51 g/mol, XLogP of 3.50, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-methylidenepentan-2-one;bis(5-methoxy-2-methylpent-1-en-3-one) is sourced from PubChem (CID 91201755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).