2-but-3-enoxy-1-prop-2-enylnaphthalene

C17H18O — CID 16750888

IUPAC2-but-3-enoxy-1-prop-2-enylnaphthalene
SMILESC=CCCOc1ccc2ccccc2c1CC=C
InChIInChI=1S/C17H18O/c1-3-5-13-18-17-12-11-14-9-6-7-10-15(14)16(17)8-4-2/h3-4,6-7,9-12H,1-2,5,8,13H2
InChIKeyIYWHZIMBJKATBJ-UHFFFAOYSA-N
MW238.33 g/mol
LogP4.52
Rot. Bonds6

About 2-but-3-enoxy-1-prop-2-enylnaphthalene

2-but-3-enoxy-1-prop-2-enylnaphthalene (PubChem CID 16750888) has the molecular formula C17H18O and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-but-3-enoxy-1-prop-2-enylnaphthalene.

Molecular Properties

Compound Name2-but-3-enoxy-1-prop-2-enylnaphthalene
PubChem CID16750888
Molecular FormulaC17H18O
Molecular Weight238.33 g/mol
Exact Mass238.14
IUPAC Name2-but-3-enoxy-1-prop-2-enylnaphthalene
SMILESC=CCCOc1ccc2ccccc2c1CC=C
InChIInChI=1S/C17H18O/c1-3-5-13-18-17-12-11-14-9-6-7-10-15(14)16(17)8-4-2/h3-4,6-7,9-12H,1-2,5,8,13H2
InChIKeyIYWHZIMBJKATBJ-UHFFFAOYSA-N
XLogP4.52
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-prop-2-enyl-2-prop-2-ynoxynaphthalene
CID 71425133
4-but-3-enoxy-3-prop-2-enylchromen-2-one
CID 11230601
1-ethyl-2-propoxynaphthalene
CID 129259410
N-[(2-hexoxynaphthalen-1-yl)methyl]prop-2-en-1-amine
CID 54849892
1-but-3-enoxy-2-methoxybenzene
CID 56629510
(1R)-1-(1-but-3-enoxynaphthalen-2-yl)ethanamine
CID 78967478
4-prop-2-enylisoquinolin-3-amine
CID 119086867
1-(bromomethyl)-2-(2-fluoroethoxy)naphthalene
CID 80696064
2-hydroxyethyl-[(2-prop-2-enoxynaphthalen-1-yl)methyl]azanium
CID 7937276
3-methoxy-1-prop-2-enylnaphthalen-2-ol
CID 130034062
2-bromo-1,3-bis(but-3-enoxy)benzene
CID 11077332
1-ethenyl-2-(2-methoxyethoxy)naphthalene
CID 176513404

Frequently Asked Questions

What is the IUPAC name of 2-but-3-enoxy-1-prop-2-enylnaphthalene?
The IUPAC name of 2-but-3-enoxy-1-prop-2-enylnaphthalene (CID 16750888) is 2-but-3-enoxy-1-prop-2-enylnaphthalene.
What is the SMILES notation for 2-but-3-enoxy-1-prop-2-enylnaphthalene?
The canonical SMILES for 2-but-3-enoxy-1-prop-2-enylnaphthalene is C=CCCOc1ccc2ccccc2c1CC=C.
What is the InChIKey of 2-but-3-enoxy-1-prop-2-enylnaphthalene?
The InChIKey is IYWHZIMBJKATBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O/c1-3-5-13-18-17-12-11-14-9-6-7-10-15(14)16(17)8-4-2/h3-4,6-7,9-12H,1-2,5,8,13H2.
What are the key properties of 2-but-3-enoxy-1-prop-2-enylnaphthalene?
2-but-3-enoxy-1-prop-2-enylnaphthalene has a molecular weight of 238.33 g/mol, XLogP of 4.52, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-3-enoxy-1-prop-2-enylnaphthalene is sourced from PubChem (CID 16750888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).