2-(methoxymethyl)dec-1-enylbenzene

C18H28O — CID 173133002

IUPAC2-(methoxymethyl)dec-1-enylbenzene
SMILESCCCCCCCCC(=Cc1ccccc1)COC
InChIInChI=1S/C18H28O/c1-3-4-5-6-7-9-14-18(16-19-2)15-17-12-10-8-11-13-17/h8,10-13,15H,3-7,9,14,16H2,1-2H3
InChIKeyCIXIVYNSIUTUTP-UHFFFAOYSA-N
MW260.42 g/mol
LogP5.47
Rot. Bonds10

About 2-(methoxymethyl)dec-1-enylbenzene

2-(methoxymethyl)dec-1-enylbenzene (PubChem CID 173133002) has the molecular formula C18H28O and a molecular weight of 260.42 g/mol. Its IUPAC name is 2-(methoxymethyl)dec-1-enylbenzene.

Molecular Properties

Compound Name2-(methoxymethyl)dec-1-enylbenzene
PubChem CID173133002
Molecular FormulaC18H28O
Molecular Weight260.42 g/mol
Exact Mass260.21
IUPAC Name2-(methoxymethyl)dec-1-enylbenzene
SMILESCCCCCCCCC(=Cc1ccccc1)COC
InChIInChI=1S/C18H28O/c1-3-4-5-6-7-9-14-18(16-19-2)15-17-12-10-8-11-13-17/h8,10-13,15H,3-7,9,14,16H2,1-2H3
InChIKeyCIXIVYNSIUTUTP-UHFFFAOYSA-N
XLogP5.47
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.42
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(chloromethyl)oct-1-enylbenzene
CID 69226716
[(2Z)-2-benzylideneheptyl] acetate
CID 5371723
2-benzylideneheptyl butanoate
CID 3018207
[(2Z)-2-benzylideneheptyl] 3-methylbutanoate
CID 6435835
2-(2-benzylideneheptoxy)-1-(4-methoxyphenyl)ethanone
CID 54046508
3-benzylideneoctanoate
CID 20981574
[(Z)-2-chlorooct-1-enyl]benzene
CID 15271116
[(Z)-2-ethoxynon-1-enyl]benzene
CID 134932446
[(E)-2-fluorohept-1-enyl]benzene
CID 20721098
(2E)-2-benzylideneheptanoic acid
CID 14318164
(E)-2-methyl-1-phenylnon-1-en-3-one
CID 102243478
2-benzylideneicosanamide
CID 167436455

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)dec-1-enylbenzene?
The IUPAC name of 2-(methoxymethyl)dec-1-enylbenzene (CID 173133002) is 2-(methoxymethyl)dec-1-enylbenzene.
What is the SMILES notation for 2-(methoxymethyl)dec-1-enylbenzene?
The canonical SMILES for 2-(methoxymethyl)dec-1-enylbenzene is CCCCCCCCC(=Cc1ccccc1)COC.
What is the InChIKey of 2-(methoxymethyl)dec-1-enylbenzene?
The InChIKey is CIXIVYNSIUTUTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O/c1-3-4-5-6-7-9-14-18(16-19-2)15-17-12-10-8-11-13-17/h8,10-13,15H,3-7,9,14,16H2,1-2H3.
What are the key properties of 2-(methoxymethyl)dec-1-enylbenzene?
2-(methoxymethyl)dec-1-enylbenzene has a molecular weight of 260.42 g/mol, XLogP of 5.47, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)dec-1-enylbenzene is sourced from PubChem (CID 173133002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).