[(Z)-4-prop-2-enoxybut-2-enoxy]methylbenzene

C14H18O2 — CID 11053131

IUPAC[(Z)-4-prop-2-enoxybut-2-enoxy]methylbenzene
SMILESC=CCOC/C=C\COCc1ccccc1
InChIInChI=1S/C14H18O2/c1-2-10-15-11-6-7-12-16-13-14-8-4-3-5-9-14/h2-9H,1,10-13H2/b7-6-
InChIKeyRHYAHCGZWBKDOZ-SREVYHEPSA-N
MW218.30 g/mol
LogP2.96
Rot. Bonds8

About [(Z)-4-prop-2-enoxybut-2-enoxy]methylbenzene

[(Z)-4-prop-2-enoxybut-2-enoxy]methylbenzene (PubChem CID 11053131) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is [(Z)-4-prop-2-enoxybut-2-enoxy]methylbenzene.

Molecular Properties

Compound Name[(Z)-4-prop-2-enoxybut-2-enoxy]methylbenzene
PubChem CID11053131
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name[(Z)-4-prop-2-enoxybut-2-enoxy]methylbenzene
SMILESC=CCOC/C=C\COCc1ccccc1
InChIInChI=1S/C14H18O2/c1-2-10-15-11-6-7-12-16-13-14-8-4-3-5-9-14/h2-9H,1,10-13H2/b7-6-
InChIKeyRHYAHCGZWBKDOZ-SREVYHEPSA-N
XLogP2.96
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.96
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

[(E)-4-phenylbut-2-enoxy]methylbenzene
CID 20826226
[(E)-4-iodobut-2-enoxy]methylbenzene
CID 11055319
5-phenylmethoxypent-3-enal
CID 54324259
[(E)-5-phenylmethoxypent-2-enoxy]methylbenzene
CID 10333986
[(Z)-3-chloroprop-2-enoxy]methylbenzene
CID 131246507
4-phenylmethoxybut-2-enal
CID 56616610
4-phenylmethoxybut-2-enyl methanesulfonate
CID 85381978
3-phenylmethoxyprop-1-enylboronic acid
CID 71358172
buta-2,3-dienoxymethylbenzene
CID 15393691
[(E)-3-phenylmethoxyprop-1-enyl]selanylbenzene
CID 71527754
(2E,4E)-6-phenylmethoxyhexa-2,4-dienal
CID 101487921
disodium;1,1'-biphenyl;hydride;3-prop-2-enoxyprop-1-ene
CID 173405020

Frequently Asked Questions

What is the IUPAC name of [(Z)-4-prop-2-enoxybut-2-enoxy]methylbenzene?
The IUPAC name of [(Z)-4-prop-2-enoxybut-2-enoxy]methylbenzene (CID 11053131) is [(Z)-4-prop-2-enoxybut-2-enoxy]methylbenzene.
What is the SMILES notation for [(Z)-4-prop-2-enoxybut-2-enoxy]methylbenzene?
The canonical SMILES for [(Z)-4-prop-2-enoxybut-2-enoxy]methylbenzene is C=CCOC/C=C\COCc1ccccc1.
What is the InChIKey of [(Z)-4-prop-2-enoxybut-2-enoxy]methylbenzene?
The InChIKey is RHYAHCGZWBKDOZ-SREVYHEPSA-N. The full InChI is InChI=1S/C14H18O2/c1-2-10-15-11-6-7-12-16-13-14-8-4-3-5-9-14/h2-9H,1,10-13H2/b7-6-.
What are the key properties of [(Z)-4-prop-2-enoxybut-2-enoxy]methylbenzene?
[(Z)-4-prop-2-enoxybut-2-enoxy]methylbenzene has a molecular weight of 218.30 g/mol, XLogP of 2.96, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-4-prop-2-enoxybut-2-enoxy]methylbenzene is sourced from PubChem (CID 11053131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).