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

C13H18O — CID 14907428

IUPAC[(Z)-hex-3-enoxy]methylbenzene
SMILESCC/C=C\CCOCc1ccccc1
InChIInChI=1S/C13H18O/c1-2-3-4-8-11-14-12-13-9-6-5-7-10-13/h3-7,9-10H,2,8,11-12H2,1H3/b4-3-
InChIKeyPCHRJGRKKJOULQ-ARJAWSKDSA-N
MW190.29 g/mol
LogP3.56
Rot. Bonds6

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

[(Z)-hex-3-enoxy]methylbenzene (PubChem CID 14907428) has the molecular formula C13H18O and a molecular weight of 190.29 g/mol. Its IUPAC name is [(Z)-hex-3-enoxy]methylbenzene.

Molecular Properties

Compound Name[(Z)-hex-3-enoxy]methylbenzene
PubChem CID14907428
Molecular FormulaC13H18O
Molecular Weight190.29 g/mol
Exact Mass190.14
IUPAC Name[(Z)-hex-3-enoxy]methylbenzene
SMILESCC/C=C\CCOCc1ccccc1
InChIInChI=1S/C13H18O/c1-2-3-4-8-11-14-12-13-9-6-5-7-10-13/h3-7,9-10H,2,8,11-12H2,1H3/b4-3-
InChIKeyPCHRJGRKKJOULQ-ARJAWSKDSA-N
XLogP3.56
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 53.56
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

Benzyl acetate
CID 8785
Styrene Oxide
CID 7276
Dibenzyl ether
CID 7657
Benzyl formate
CID 7708
Benzyl butyrate
CID 7650
Benzyl tiglate
CID 250096
(S)-styrene oxide
CID 114946
Benzaldehyde dimethyl acetal
CID 62375
1-Phenylethyl propionate
CID 8432
Benzyl isobutyrate
CID 7646
Benzyl isovalerate
CID 7651
Methyl phenethyl ether
CID 19089

Frequently Asked Questions

What is the IUPAC name of [(Z)-hex-3-enoxy]methylbenzene?
The IUPAC name of [(Z)-hex-3-enoxy]methylbenzene (CID 14907428) is [(Z)-hex-3-enoxy]methylbenzene.
What is the SMILES notation for [(Z)-hex-3-enoxy]methylbenzene?
The canonical SMILES for [(Z)-hex-3-enoxy]methylbenzene is CC/C=C\CCOCc1ccccc1.
What is the InChIKey of [(Z)-hex-3-enoxy]methylbenzene?
The InChIKey is PCHRJGRKKJOULQ-ARJAWSKDSA-N. The full InChI is InChI=1S/C13H18O/c1-2-3-4-8-11-14-12-13-9-6-5-7-10-13/h3-7,9-10H,2,8,11-12H2,1H3/b4-3-.
What are the key properties of [(Z)-hex-3-enoxy]methylbenzene?
[(Z)-hex-3-enoxy]methylbenzene has a molecular weight of 190.29 g/mol, XLogP of 3.56, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-hex-3-enoxy]methylbenzene is sourced from PubChem (CID 14907428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).