dec-9-enoxymethylbenzene

C17H25O- — CID 91868068

IUPACdec-9-enoxymethylbenzene
SMILESC=CCCCCCCCCO[CH-]c1ccccc1
InChIInChI=1S/C17H25O/c1-2-3-4-5-6-7-8-12-15-18-16-17-13-10-9-11-14-17/h2,9-11,13-14,16H,1,3-8,12,15H2/q-1
InChIKeyLDQXPRWYGYNKLK-UHFFFAOYSA-N
MW245.39 g/mol
LogP5.13
Rot. Bonds11

About dec-9-enoxymethylbenzene

dec-9-enoxymethylbenzene (PubChem CID 91868068) has the molecular formula C17H25O- and a molecular weight of 245.39 g/mol. Its IUPAC name is dec-9-enoxymethylbenzene.

Molecular Properties

Compound Namedec-9-enoxymethylbenzene
PubChem CID91868068
Molecular FormulaC17H25O-
Molecular Weight245.39 g/mol
Exact Mass245.19
IUPAC Namedec-9-enoxymethylbenzene
SMILESC=CCCCCCCCCO[CH-]c1ccccc1
InChIInChI=1S/C17H25O/c1-2-3-4-5-6-7-8-12-15-18-16-17-13-10-9-11-14-17/h2,9-11,13-14,16H,1,3-8,12,15H2/q-1
InChIKeyLDQXPRWYGYNKLK-UHFFFAOYSA-N
XLogP5.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500245.39
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,3-bis(dec-9-enoxy)-2-phenylbenzene
CID 134837533
2-dec-9-enoxybenzoate
CID 22354189
1-ethyl-2-hept-6-enoxybenzene
CID 107010566
(2-hept-6-enoxyphenyl)methanol
CID 107007457
hept-6-enylbenzene
CID 15608161
dec-9-enyl phenyl carbonate
CID 90888843
2-bromo-1,3-bis(hex-5-enoxy)benzene
CID 10882709
tert-butyl-diphenyl-undec-10-enoxysilane
CID 25058521
triphenyl(undec-10-enyl)phosphanium
CID 3716115
12-dodec-11-enoxydodec-1-ene
CID 87325659
2-hept-6-enoxyisoindole-1,3-dione
CID 162768811
N-oct-7-enylaniline
CID 101291024

Frequently Asked Questions

What is the IUPAC name of dec-9-enoxymethylbenzene?
The IUPAC name of dec-9-enoxymethylbenzene (CID 91868068) is dec-9-enoxymethylbenzene.
What is the SMILES notation for dec-9-enoxymethylbenzene?
The canonical SMILES for dec-9-enoxymethylbenzene is C=CCCCCCCCCO[CH-]c1ccccc1.
What is the InChIKey of dec-9-enoxymethylbenzene?
The InChIKey is LDQXPRWYGYNKLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25O/c1-2-3-4-5-6-7-8-12-15-18-16-17-13-10-9-11-14-17/h2,9-11,13-14,16H,1,3-8,12,15H2/q-1.
What are the key properties of dec-9-enoxymethylbenzene?
dec-9-enoxymethylbenzene has a molecular weight of 245.39 g/mol, XLogP of 5.13, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dec-9-enoxymethylbenzene is sourced from PubChem (CID 91868068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).