6-(3-methoxypropoxy)hex-1-en-3-one

C10H18O3 — CID 58846844

IUPAC6-(3-methoxypropoxy)hex-1-en-3-one
SMILESC=CC(=O)CCCOCCCOC
InChIInChI=1S/C10H18O3/c1-3-10(11)6-4-8-13-9-5-7-12-2/h3H,1,4-9H2,2H3
InChIKeyVSDMOZFFESVOBS-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.57
Rot. Bonds9

About 6-(3-methoxypropoxy)hex-1-en-3-one

6-(3-methoxypropoxy)hex-1-en-3-one (PubChem CID 58846844) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is 6-(3-methoxypropoxy)hex-1-en-3-one.

Molecular Properties

Compound Name6-(3-methoxypropoxy)hex-1-en-3-one
PubChem CID58846844
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name6-(3-methoxypropoxy)hex-1-en-3-one
SMILESC=CC(=O)CCCOCCCOC
InChIInChI=1S/C10H18O3/c1-3-10(11)6-4-8-13-9-5-7-12-2/h3H,1,4-9H2,2H3
InChIKeyVSDMOZFFESVOBS-UHFFFAOYSA-N
XLogP1.57
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

4-Oxohex-5-enyl acetate
CID 139588464
6-Ethoxyhex-1-en-3-one
CID 20675034
4-Oxohex-5-enyl butanoate
CID 20675033
6-[2-(4-Oxohex-5-enoxy)ethoxy]hex-1-en-3-one
CID 23591517
6-Propoxyhex-1-en-3-one
CID 57272050
6-(4-Oxohex-5-enoxy)hex-1-en-3-one
CID 57316280
6-Propan-2-yloxyhex-1-en-3-one
CID 58298916
4-Oxohex-5-enyl 2-methylpropanoate
CID 58298943
6-Methoxyhept-1-en-3-one
CID 58441310
6-Methoxyhex-1-en-3-one
CID 59702772
6-[2,2-Bis(4-oxohex-5-enoxymethyl)butoxy]hex-1-en-3-one
CID 59769055
5-But-3-enoxypentan-2-one
CID 62031380

Frequently Asked Questions

What is the IUPAC name of 6-(3-methoxypropoxy)hex-1-en-3-one?
The IUPAC name of 6-(3-methoxypropoxy)hex-1-en-3-one (CID 58846844) is 6-(3-methoxypropoxy)hex-1-en-3-one.
What is the SMILES notation for 6-(3-methoxypropoxy)hex-1-en-3-one?
The canonical SMILES for 6-(3-methoxypropoxy)hex-1-en-3-one is C=CC(=O)CCCOCCCOC.
What is the InChIKey of 6-(3-methoxypropoxy)hex-1-en-3-one?
The InChIKey is VSDMOZFFESVOBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-3-10(11)6-4-8-13-9-5-7-12-2/h3H,1,4-9H2,2H3.
What are the key properties of 6-(3-methoxypropoxy)hex-1-en-3-one?
6-(3-methoxypropoxy)hex-1-en-3-one has a molecular weight of 186.25 g/mol, XLogP of 1.57, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methoxypropoxy)hex-1-en-3-one is sourced from PubChem (CID 58846844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).