1-butoxy-2-[(E)-pent-3-en-2-yl]oxybenzene

C15H22O2 — CID 70308212

IUPAC1-butoxy-2-[(E)-pent-3-en-2-yl]oxybenzene
SMILESC/C=C/C(C)Oc1ccccc1OCCCC
InChIInChI=1S/C15H22O2/c1-4-6-12-16-14-10-7-8-11-15(14)17-13(3)9-5-2/h5,7-11,13H,4,6,12H2,1-3H3/b9-5+
InChIKeyJMCITJJWWPKTJS-WEVVVXLNSA-N
MW234.34 g/mol
LogP4.21
Rot. Bonds7

About 1-butoxy-2-[(E)-pent-3-en-2-yl]oxybenzene

1-butoxy-2-[(E)-pent-3-en-2-yl]oxybenzene (PubChem CID 70308212) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-butoxy-2-[(E)-pent-3-en-2-yl]oxybenzene.

Molecular Properties

Compound Name1-butoxy-2-[(E)-pent-3-en-2-yl]oxybenzene
PubChem CID70308212
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name1-butoxy-2-[(E)-pent-3-en-2-yl]oxybenzene
SMILESC/C=C/C(C)Oc1ccccc1OCCCC
InChIInChI=1S/C15H22O2/c1-4-6-12-16-14-10-7-8-11-15(14)17-13(3)9-5-2/h5,7-11,13H,4,6,12H2,1-3H3/b9-5+
InChIKeyJMCITJJWWPKTJS-WEVVVXLNSA-N
XLogP4.21
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(2-bromoethoxy)-2-[1-[2-(2-bromoethoxy)phenoxy]pentoxy]benzene
CID 70224687
1,2-bis[2-(2-butoxyethoxy)ethoxy]benzene
CID 12693817
1,2-bis[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]benzene
CID 118036044
1-[(E)-2-bromoethenyl]-2-butoxybenzene
CID 165465465
ethane;1-prop-1-enyl-2-propoxybenzene
CID 91525443
(1S)-1-(2-octoxyphenyl)ethanol
CID 55223229
(1R)-1-(2-nonoxyphenyl)ethanol
CID 78944592
1,3-dibutoxy-2-methylbenzene
CID 14475066
1,4-dibutoxynaphthalene
CID 22016411
2-[2-[2-[2-(1-carboxypentoxy)phenoxy]ethoxy]phenoxy]hexanoic acid
CID 15369029
1-butoxynaphthalene
CID 13262700
tris(2-butoxyphenyl)sulfanium
CID 87493432

Frequently Asked Questions

What is the IUPAC name of 1-butoxy-2-[(E)-pent-3-en-2-yl]oxybenzene?
The IUPAC name of 1-butoxy-2-[(E)-pent-3-en-2-yl]oxybenzene (CID 70308212) is 1-butoxy-2-[(E)-pent-3-en-2-yl]oxybenzene.
What is the SMILES notation for 1-butoxy-2-[(E)-pent-3-en-2-yl]oxybenzene?
The canonical SMILES for 1-butoxy-2-[(E)-pent-3-en-2-yl]oxybenzene is C/C=C/C(C)Oc1ccccc1OCCCC.
What is the InChIKey of 1-butoxy-2-[(E)-pent-3-en-2-yl]oxybenzene?
The InChIKey is JMCITJJWWPKTJS-WEVVVXLNSA-N. The full InChI is InChI=1S/C15H22O2/c1-4-6-12-16-14-10-7-8-11-15(14)17-13(3)9-5-2/h5,7-11,13H,4,6,12H2,1-3H3/b9-5+.
What are the key properties of 1-butoxy-2-[(E)-pent-3-en-2-yl]oxybenzene?
1-butoxy-2-[(E)-pent-3-en-2-yl]oxybenzene has a molecular weight of 234.34 g/mol, XLogP of 4.21, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxy-2-[(E)-pent-3-en-2-yl]oxybenzene is sourced from PubChem (CID 70308212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).