penta-2,3-dienoxymethylbenzene

C12H14O — CID 135084296

IUPACpenta-2,3-dienoxymethylbenzene
SMILESCC=C=CCOCc1ccccc1
InChIInChI=1S/C12H14O/c1-2-3-7-10-13-11-12-8-5-4-6-9-12/h2,4-9H,10-11H2,1H3
InChIKeyWVBDTPJPKSADDN-UHFFFAOYSA-N
MW174.24 g/mol
LogP2.93
Rot. Bonds4

About penta-2,3-dienoxymethylbenzene

penta-2,3-dienoxymethylbenzene (PubChem CID 135084296) has the molecular formula C12H14O and a molecular weight of 174.24 g/mol. Its IUPAC name is penta-2,3-dienoxymethylbenzene.

Molecular Properties

Compound Namepenta-2,3-dienoxymethylbenzene
PubChem CID135084296
Molecular FormulaC12H14O
Molecular Weight174.24 g/mol
Exact Mass174.10
IUPAC Namepenta-2,3-dienoxymethylbenzene
SMILESCC=C=CCOCc1ccccc1
InChIInChI=1S/C12H14O/c1-2-3-7-10-13-11-12-8-5-4-6-9-12/h2,4-9H,10-11H2,1H3
InChIKeyWVBDTPJPKSADDN-UHFFFAOYSA-N
XLogP2.93
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

buta-2,3-dienoxymethylbenzene
CID 15393691
ethane;phenylmethoxymethylbenzene
CID 90943549
[(E)-4-phenylbut-2-enoxy]methylbenzene
CID 20826226
CID 66734377
CID 66734377
[(Z)-3-chloroprop-2-enoxy]methylbenzene
CID 131246507
[(E)-4-iodobut-2-enoxy]methylbenzene
CID 11055319
3-bromobut-2-enoxymethylbenzene
CID 85427694
N-methylmethanamine;phenylmethoxymethylbenzene
CID 70181699
(213C)ethoxymethylbenzene
CID 87947851
dimethyltin;phenylmethoxymethylbenzene
CID 87392963
[(E)-3-methylpent-2-enoxy]methylbenzene
CID 12622244
[(Z)-4-prop-2-enoxybut-2-enoxy]methylbenzene
CID 11053131

Frequently Asked Questions

What is the IUPAC name of penta-2,3-dienoxymethylbenzene?
The IUPAC name of penta-2,3-dienoxymethylbenzene (CID 135084296) is penta-2,3-dienoxymethylbenzene.
What is the SMILES notation for penta-2,3-dienoxymethylbenzene?
The canonical SMILES for penta-2,3-dienoxymethylbenzene is CC=C=CCOCc1ccccc1.
What is the InChIKey of penta-2,3-dienoxymethylbenzene?
The InChIKey is WVBDTPJPKSADDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O/c1-2-3-7-10-13-11-12-8-5-4-6-9-12/h2,4-9H,10-11H2,1H3.
What are the key properties of penta-2,3-dienoxymethylbenzene?
penta-2,3-dienoxymethylbenzene has a molecular weight of 174.24 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for penta-2,3-dienoxymethylbenzene is sourced from PubChem (CID 135084296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).