[(Z)-pent-3-enoxy]methylbenzene

C12H16O — CID 13428364

IUPAC[(Z)-pent-3-enoxy]methylbenzene
SMILESC/C=C\CCOCc1ccccc1
InChIInChI=1S/C12H16O/c1-2-3-7-10-13-11-12-8-5-4-6-9-12/h2-6,8-9H,7,10-11H2,1H3/b3-2-
InChIKeyPQJXGJWVTQHJNA-IHWYPQMZSA-N
MW176.26 g/mol
LogP3.17
Rot. Bonds5

About [(Z)-pent-3-enoxy]methylbenzene

[(Z)-pent-3-enoxy]methylbenzene (PubChem CID 13428364) has the molecular formula C12H16O and a molecular weight of 176.26 g/mol. Its IUPAC name is [(Z)-pent-3-enoxy]methylbenzene.

Molecular Properties

Compound Name[(Z)-pent-3-enoxy]methylbenzene
PubChem CID13428364
Molecular FormulaC12H16O
Molecular Weight176.26 g/mol
Exact Mass176.12
IUPAC Name[(Z)-pent-3-enoxy]methylbenzene
SMILESC/C=C\CCOCc1ccccc1
InChIInChI=1S/C12H16O/c1-2-3-7-10-13-11-12-8-5-4-6-9-12/h2-6,8-9H,7,10-11H2,1H3/b3-2-
InChIKeyPQJXGJWVTQHJNA-IHWYPQMZSA-N
XLogP3.17
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 53.17
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

[(E)-5-phenylmethoxypent-2-enoxy]methylbenzene
CID 10333986
[(E)-5-phenylmethoxypent-2-enyl] 2-oxobutanoate
CID 23649615
20-phenylmethoxyicos-10-enoxymethylbenzene
CID 54404919
[(E)-4-(benzenesulfonyl)but-3-enoxy]methylbenzene
CID 10086281
pent-3-enylbenzene
CID 519421
2-iodoethoxymethylbenzene
CID 10355314
(Z)-6-(phenylmethoxymethoxy)hex-3-en-1-ol
CID 163205191
ethane;phenylmethoxymethylbenzene
CID 90943549
[(Z)-pentadec-6-enoxy]methylbenzene
CID 10591538
3-(amino-methyl-oxo-λ6-sulfanylidene)propoxymethylbenzene
CID 123438576
undec-4-enoxymethylbenzene
CID 158781580
[(E)-hexacos-15-enoxy]methylbenzene
CID 58900689

Frequently Asked Questions

What is the IUPAC name of [(Z)-pent-3-enoxy]methylbenzene?
The IUPAC name of [(Z)-pent-3-enoxy]methylbenzene (CID 13428364) is [(Z)-pent-3-enoxy]methylbenzene.
What is the SMILES notation for [(Z)-pent-3-enoxy]methylbenzene?
The canonical SMILES for [(Z)-pent-3-enoxy]methylbenzene is C/C=C\CCOCc1ccccc1.
What is the InChIKey of [(Z)-pent-3-enoxy]methylbenzene?
The InChIKey is PQJXGJWVTQHJNA-IHWYPQMZSA-N. The full InChI is InChI=1S/C12H16O/c1-2-3-7-10-13-11-12-8-5-4-6-9-12/h2-6,8-9H,7,10-11H2,1H3/b3-2-.
What are the key properties of [(Z)-pent-3-enoxy]methylbenzene?
[(Z)-pent-3-enoxy]methylbenzene has a molecular weight of 176.26 g/mol, XLogP of 3.17, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-pent-3-enoxy]methylbenzene is sourced from PubChem (CID 13428364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).