[(Z)-pentadec-6-enoxy]methylbenzene

C22H36O — CID 10591538

IUPAC[(Z)-pentadec-6-enoxy]methylbenzene
SMILESCCCCCCCC/C=C\CCCCCOCc1ccccc1
InChIInChI=1S/C22H36O/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-23-21-22-18-15-14-16-19-22/h9-10,14-16,18-19H,2-8,11-13,17,20-21H2,1H3/b10-9-
InChIKeyOBNSSRZAHYPPHA-KTKRTIGZSA-N
MW316.53 g/mol
LogP7.07
Rot. Bonds15

About [(Z)-pentadec-6-enoxy]methylbenzene

[(Z)-pentadec-6-enoxy]methylbenzene (PubChem CID 10591538) has the molecular formula C22H36O and a molecular weight of 316.53 g/mol. Its IUPAC name is [(Z)-pentadec-6-enoxy]methylbenzene.

Molecular Properties

Compound Name[(Z)-pentadec-6-enoxy]methylbenzene
PubChem CID10591538
Molecular FormulaC22H36O
Molecular Weight316.53 g/mol
Exact Mass316.28
IUPAC Name[(Z)-pentadec-6-enoxy]methylbenzene
SMILESCCCCCCCC/C=C\CCCCCOCc1ccccc1
InChIInChI=1S/C22H36O/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-23-21-22-18-15-14-16-19-22/h9-10,14-16,18-19H,2-8,11-13,17,20-21H2,1H3/b10-9-
InChIKeyOBNSSRZAHYPPHA-KTKRTIGZSA-N
XLogP7.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.53
LogP ≤ 57.07
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)-hexacos-15-enoxy]methylbenzene
CID 58900689
undec-4-enoxymethylbenzene
CID 158781580
20-phenylmethoxyicos-10-enoxymethylbenzene
CID 54404919
azane;hexoxymethylbenzene
CID 174805489
formaldehyde;octoxymethylbenzene;tungsten
CID 173433681
2-hexadecoxyethoxymethylbenzene
CID 19965709
5-(2-hexoxyethoxy)pentoxymethylbenzene
CID 160938924
2-(2-heptoxyethoxy)ethoxymethylbenzene
CID 123339460
2-dodecoxyethoxymethylbenzene
CID 12857482
butoxymethylbenzene;ethane
CID 145341806
icos-13-ynoxymethylbenzene
CID 134976299
lithium;butoxymethylbenzene;hydride
CID 175482454

Frequently Asked Questions

What is the IUPAC name of [(Z)-pentadec-6-enoxy]methylbenzene?
The IUPAC name of [(Z)-pentadec-6-enoxy]methylbenzene (CID 10591538) is [(Z)-pentadec-6-enoxy]methylbenzene.
What is the SMILES notation for [(Z)-pentadec-6-enoxy]methylbenzene?
The canonical SMILES for [(Z)-pentadec-6-enoxy]methylbenzene is CCCCCCCC/C=C\CCCCCOCc1ccccc1.
What is the InChIKey of [(Z)-pentadec-6-enoxy]methylbenzene?
The InChIKey is OBNSSRZAHYPPHA-KTKRTIGZSA-N. The full InChI is InChI=1S/C22H36O/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-23-21-22-18-15-14-16-19-22/h9-10,14-16,18-19H,2-8,11-13,17,20-21H2,1H3/b10-9-.
What are the key properties of [(Z)-pentadec-6-enoxy]methylbenzene?
[(Z)-pentadec-6-enoxy]methylbenzene has a molecular weight of 316.53 g/mol, XLogP of 7.07, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-pentadec-6-enoxy]methylbenzene is sourced from PubChem (CID 10591538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).