[(1Z,3E)-5,5-dimethylhexa-1,3-dienoxy]methylbenzene

C15H20O — CID 122393351

IUPAC[(1Z,3E)-5,5-dimethylhexa-1,3-dienoxy]methylbenzene
SMILESCC(C)(C)/C=C/C=C\OCc1ccccc1
InChIInChI=1S/C15H20O/c1-15(2,3)11-7-8-12-16-13-14-9-5-4-6-10-14/h4-12H,13H2,1-3H3/b11-7+,12-8-
InChIKeyFQKLJQLKECSPKB-RLCSYUECSA-N
MW216.32 g/mol
LogP4.32
Rot. Bonds4

About [(1Z,3E)-5,5-dimethylhexa-1,3-dienoxy]methylbenzene

[(1Z,3E)-5,5-dimethylhexa-1,3-dienoxy]methylbenzene (PubChem CID 122393351) has the molecular formula C15H20O and a molecular weight of 216.32 g/mol. Its IUPAC name is [(1Z,3E)-5,5-dimethylhexa-1,3-dienoxy]methylbenzene.

Molecular Properties

Compound Name[(1Z,3E)-5,5-dimethylhexa-1,3-dienoxy]methylbenzene
PubChem CID122393351
Molecular FormulaC15H20O
Molecular Weight216.32 g/mol
Exact Mass216.15
IUPAC Name[(1Z,3E)-5,5-dimethylhexa-1,3-dienoxy]methylbenzene
SMILESCC(C)(C)/C=C/C=C\OCc1ccccc1
InChIInChI=1S/C15H20O/c1-15(2,3)11-7-8-12-16-13-14-9-5-4-6-10-14/h4-12H,13H2,1-3H3/b11-7+,12-8-
InChIKeyFQKLJQLKECSPKB-RLCSYUECSA-N
XLogP4.32
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

tert-butyl-dimethyl-(2-phenylmethoxyethenoxy)silane
CID 10468367
ethane;ethenoxymethylbenzene
CID 144676673
ethenoxymethylbenzene
CID 11116115
2-methyl-N-(2-phenylmethoxyethenyl)propane-2-sulfonamide
CID 90713646
3-phenylmethoxyprop-2-enylsilane
CID 173015897
[(E)-3-fluoroprop-1-enoxy]methylbenzene
CID 143459033
(E)-4-phenylmethoxybut-3-en-2-one
CID 5368274
[(1E)-1-(2,2-dimethylpropylidene)-4,4-dimethyl-2-phenylmethoxypent-2-enoxy]methylbenzene
CID 160642303
1-(buta-1,3-dienoxymethyl)-4-methylbenzene
CID 118966136
(E)-1,1,1-trifluoro-4-phenylmethoxybut-3-en-2-one
CID 11053414
2-dichlorophosphorylethenoxymethylbenzene
CID 71442996
(E)-3-phenylmethoxyprop-2-enoyl chloride
CID 638415

Frequently Asked Questions

What is the IUPAC name of [(1Z,3E)-5,5-dimethylhexa-1,3-dienoxy]methylbenzene?
The IUPAC name of [(1Z,3E)-5,5-dimethylhexa-1,3-dienoxy]methylbenzene (CID 122393351) is [(1Z,3E)-5,5-dimethylhexa-1,3-dienoxy]methylbenzene.
What is the SMILES notation for [(1Z,3E)-5,5-dimethylhexa-1,3-dienoxy]methylbenzene?
The canonical SMILES for [(1Z,3E)-5,5-dimethylhexa-1,3-dienoxy]methylbenzene is CC(C)(C)/C=C/C=C\OCc1ccccc1.
What is the InChIKey of [(1Z,3E)-5,5-dimethylhexa-1,3-dienoxy]methylbenzene?
The InChIKey is FQKLJQLKECSPKB-RLCSYUECSA-N. The full InChI is InChI=1S/C15H20O/c1-15(2,3)11-7-8-12-16-13-14-9-5-4-6-10-14/h4-12H,13H2,1-3H3/b11-7+,12-8-.
What are the key properties of [(1Z,3E)-5,5-dimethylhexa-1,3-dienoxy]methylbenzene?
[(1Z,3E)-5,5-dimethylhexa-1,3-dienoxy]methylbenzene has a molecular weight of 216.32 g/mol, XLogP of 4.32, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1Z,3E)-5,5-dimethylhexa-1,3-dienoxy]methylbenzene is sourced from PubChem (CID 122393351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).