[(E)-4-ethenoxypent-2-en-2-yl]benzene

C13H16O — CID 134840505

IUPAC[(E)-4-ethenoxypent-2-en-2-yl]benzene
SMILESC=COC(C)/C=C(\C)c1ccccc1
InChIInChI=1S/C13H16O/c1-4-14-12(3)10-11(2)13-8-6-5-7-9-13/h4-10,12H,1H2,2-3H3/b11-10+
InChIKeyHCMZANMHJHOQIX-ZHACJKMWSA-N
MW188.27 g/mol
LogP3.64
Rot. Bonds4

About [(E)-4-ethenoxypent-2-en-2-yl]benzene

[(E)-4-ethenoxypent-2-en-2-yl]benzene (PubChem CID 134840505) has the molecular formula C13H16O and a molecular weight of 188.27 g/mol. Its IUPAC name is [(E)-4-ethenoxypent-2-en-2-yl]benzene.

Molecular Properties

Compound Name[(E)-4-ethenoxypent-2-en-2-yl]benzene
PubChem CID134840505
Molecular FormulaC13H16O
Molecular Weight188.27 g/mol
Exact Mass188.12
IUPAC Name[(E)-4-ethenoxypent-2-en-2-yl]benzene
SMILESC=COC(C)/C=C(\C)c1ccccc1
InChIInChI=1S/C13H16O/c1-4-14-12(3)10-11(2)13-8-6-5-7-9-13/h4-10,12H,1H2,2-3H3/b11-10+
InChIKeyHCMZANMHJHOQIX-ZHACJKMWSA-N
XLogP3.64
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

4-methylhex-2-en-2-ylbenzene
CID 76543432
(2E,4S,5R,6R)-5-methyl-2,6-diphenylocta-2,7-dien-4-ol
CID 11652243
1-methyl-4-(4-phenylpent-3-en-2-yl)benzene
CID 173216306
[(E,2R)-4-phenylpent-3-en-2-yl] 2,3,4,5,6-pentafluorobenzoate
CID 101254577
4-phenyl-2-propan-2-ylpent-3-enoic acid
CID 54028132
[chloro(ethenoxy)methyl]benzene
CID 175176601
4-phenylpent-3-ene-1,2-diol
CID 67185961
[ethenoxy(phenyl)methyl]benzene
CID 11401563
1-[(Z)-4-phenylpent-3-en-2-yl]pyrrolidine
CID 66742396
5-phenylhex-4-en-1-yn-3-ol
CID 130127782
1,1,1-trifluoro-4-phenylpent-3-en-2-ol
CID 54050164
(1S)-1-dimethoxyphosphoryl-3-phenylbut-2-en-1-ol
CID 57315099

Frequently Asked Questions

What is the IUPAC name of [(E)-4-ethenoxypent-2-en-2-yl]benzene?
The IUPAC name of [(E)-4-ethenoxypent-2-en-2-yl]benzene (CID 134840505) is [(E)-4-ethenoxypent-2-en-2-yl]benzene.
What is the SMILES notation for [(E)-4-ethenoxypent-2-en-2-yl]benzene?
The canonical SMILES for [(E)-4-ethenoxypent-2-en-2-yl]benzene is C=COC(C)/C=C(\C)c1ccccc1.
What is the InChIKey of [(E)-4-ethenoxypent-2-en-2-yl]benzene?
The InChIKey is HCMZANMHJHOQIX-ZHACJKMWSA-N. The full InChI is InChI=1S/C13H16O/c1-4-14-12(3)10-11(2)13-8-6-5-7-9-13/h4-10,12H,1H2,2-3H3/b11-10+.
What are the key properties of [(E)-4-ethenoxypent-2-en-2-yl]benzene?
[(E)-4-ethenoxypent-2-en-2-yl]benzene has a molecular weight of 188.27 g/mol, XLogP of 3.64, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-4-ethenoxypent-2-en-2-yl]benzene is sourced from PubChem (CID 134840505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).