1,1-bis[(E)-but-2-enoxy]propan-2-ylbenzene

C17H24O2 — CID 171730184

IUPAC1,1-bis[(E)-but-2-enoxy]propan-2-ylbenzene
SMILESC/C=C/COC(OC/C=C/C)C(C)c1ccccc1
InChIInChI=1S/C17H24O2/c1-4-6-13-18-17(19-14-7-5-2)15(3)16-11-9-8-10-12-16/h4-12,15,17H,13-14H2,1-3H3/b6-4+,7-5+
InChIKeyYNAZFEQWMBPZEN-YDFGWWAZSA-N
MW260.38 g/mol
LogP4.30
Rot. Bonds8

About 1,1-bis[(E)-but-2-enoxy]propan-2-ylbenzene

1,1-bis[(E)-but-2-enoxy]propan-2-ylbenzene (PubChem CID 171730184) has the molecular formula C17H24O2 and a molecular weight of 260.38 g/mol. Its IUPAC name is 1,1-bis[(E)-but-2-enoxy]propan-2-ylbenzene.

Molecular Properties

Compound Name1,1-bis[(E)-but-2-enoxy]propan-2-ylbenzene
PubChem CID171730184
Molecular FormulaC17H24O2
Molecular Weight260.38 g/mol
Exact Mass260.18
IUPAC Name1,1-bis[(E)-but-2-enoxy]propan-2-ylbenzene
SMILESC/C=C/COC(OC/C=C/C)C(C)c1ccccc1
InChIInChI=1S/C17H24O2/c1-4-6-13-18-17(19-14-7-5-2)15(3)16-11-9-8-10-12-16/h4-12,15,17H,13-14H2,1-3H3/b6-4+,7-5+
InChIKeyYNAZFEQWMBPZEN-YDFGWWAZSA-N
XLogP4.30
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[(E)-but-2-enoxy]-4-[4-(1-hydroperoxy-2-phenylpropyl)phenyl]benzene
CID 118155627
1,1-dihydroperoxypropan-2-ylbenzene
CID 135041472
but-2-enylperoxybenzene
CID 159061955
but-2-enoxybenzene
CID 564963
[(E)-hept-5-en-2-yl]benzene
CID 22172140
ethane;[(2S)-3-phenylbutan-2-yl]benzene
CID 143602107
[(2R,3S)-3-methylpentan-2-yl]benzene
CID 142488362
1-benzhydryl-3-but-2-enoxyazetidine
CID 67154585
methyl 2-phenylhex-4-enoate
CID 141185877
(Z)-3-phenylhept-5-en-2-one
CID 5363833
1-(1-chloroethoxy)but-2-ene
CID 91247545
(2S)-2-[(E)-but-2-enoxy]-3-phenylmethoxypropanal
CID 10857375

Frequently Asked Questions

What is the IUPAC name of 1,1-bis[(E)-but-2-enoxy]propan-2-ylbenzene?
The IUPAC name of 1,1-bis[(E)-but-2-enoxy]propan-2-ylbenzene (CID 171730184) is 1,1-bis[(E)-but-2-enoxy]propan-2-ylbenzene.
What is the SMILES notation for 1,1-bis[(E)-but-2-enoxy]propan-2-ylbenzene?
The canonical SMILES for 1,1-bis[(E)-but-2-enoxy]propan-2-ylbenzene is C/C=C/COC(OC/C=C/C)C(C)c1ccccc1.
What is the InChIKey of 1,1-bis[(E)-but-2-enoxy]propan-2-ylbenzene?
The InChIKey is YNAZFEQWMBPZEN-YDFGWWAZSA-N. The full InChI is InChI=1S/C17H24O2/c1-4-6-13-18-17(19-14-7-5-2)15(3)16-11-9-8-10-12-16/h4-12,15,17H,13-14H2,1-3H3/b6-4+,7-5+.
What are the key properties of 1,1-bis[(E)-but-2-enoxy]propan-2-ylbenzene?
1,1-bis[(E)-but-2-enoxy]propan-2-ylbenzene has a molecular weight of 260.38 g/mol, XLogP of 4.30, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis[(E)-but-2-enoxy]propan-2-ylbenzene is sourced from PubChem (CID 171730184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).