octa-1,7-dien-4-yloxymethylbenzene

C15H20O — CID 90067703

IUPACocta-1,7-dien-4-yloxymethylbenzene
SMILESC=CCCC(CC=C)OCc1ccccc1
InChIInChI=1S/C15H20O/c1-3-5-12-15(9-4-2)16-13-14-10-7-6-8-11-14/h3-4,6-8,10-11,15H,1-2,5,9,12-13H2
InChIKeyPUHZFRAZJSTTRK-UHFFFAOYSA-N
MW216.32 g/mol
LogP4.11
Rot. Bonds8

About octa-1,7-dien-4-yloxymethylbenzene

octa-1,7-dien-4-yloxymethylbenzene (PubChem CID 90067703) has the molecular formula C15H20O and a molecular weight of 216.32 g/mol. Its IUPAC name is octa-1,7-dien-4-yloxymethylbenzene.

Molecular Properties

Compound Nameocta-1,7-dien-4-yloxymethylbenzene
PubChem CID90067703
Molecular FormulaC15H20O
Molecular Weight216.32 g/mol
Exact Mass216.15
IUPAC Nameocta-1,7-dien-4-yloxymethylbenzene
SMILESC=CCCC(CC=C)OCc1ccccc1
InChIInChI=1S/C15H20O/c1-3-5-12-15(9-4-2)16-13-14-10-7-6-8-11-14/h3-4,6-8,10-11,15H,1-2,5,9,12-13H2
InChIKeyPUHZFRAZJSTTRK-UHFFFAOYSA-N
XLogP4.11
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 70676356
1-[(1E)-5-phenylmethoxyocta-1,7-dienyl]-4-(trifluoromethyl)benzene
CID 101238624
[(3R)-3-pent-4-enoxyhex-5-enyl]benzene
CID 134882651
[(4R,6S)-6-(methoxymethoxy)hept-1-en-4-yl]oxymethylbenzene
CID 71496897
1-methyl-4-(2-phenylmethoxypent-4-enoxy)benzene
CID 21317630
1-fluoro-4-[(2S)-2-phenylmethoxypent-4-enoxy]benzene
CID 129387965
1,1,1-trifluoropent-4-en-2-yloxymethylbenzene
CID 175434069
[(4R,6R)-6-phenylmethoxydec-1-en-4-yl] prop-2-enoate
CID 25105662
[(3R,4R)-4-phenylmethoxyhexa-1,5-dien-3-yl]oxymethylbenzene
CID 10756228
3-phenylmethoxypentanedial
CID 154678181
(3S,5Z,7R)-2-methyl-7-phenylmethoxyundeca-5,10-dien-3-ol
CID 10880742
[(3R)-3-[(E)-pent-3-enoxy]hex-5-enyl]benzene
CID 101441106

Frequently Asked Questions

What is the IUPAC name of octa-1,7-dien-4-yloxymethylbenzene?
The IUPAC name of octa-1,7-dien-4-yloxymethylbenzene (CID 90067703) is octa-1,7-dien-4-yloxymethylbenzene.
What is the SMILES notation for octa-1,7-dien-4-yloxymethylbenzene?
The canonical SMILES for octa-1,7-dien-4-yloxymethylbenzene is C=CCCC(CC=C)OCc1ccccc1.
What is the InChIKey of octa-1,7-dien-4-yloxymethylbenzene?
The InChIKey is PUHZFRAZJSTTRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O/c1-3-5-12-15(9-4-2)16-13-14-10-7-6-8-11-14/h3-4,6-8,10-11,15H,1-2,5,9,12-13H2.
What are the key properties of octa-1,7-dien-4-yloxymethylbenzene?
octa-1,7-dien-4-yloxymethylbenzene has a molecular weight of 216.32 g/mol, XLogP of 4.11, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for octa-1,7-dien-4-yloxymethylbenzene is sourced from PubChem (CID 90067703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).