2-but-2-enylocta-2,7-dienoxybenzene

C18H24O — CID 54130728

IUPAC2-but-2-enylocta-2,7-dienoxybenzene
SMILESC=CCCCC=C(CC=CC)COc1ccccc1
InChIInChI=1S/C18H24O/c1-3-5-7-9-13-17(12-6-4-2)16-19-18-14-10-8-11-15-18/h3-4,6,8,10-11,13-15H,1,5,7,9,12,16H2,2H3
InChIKeyNUEDAOBENCIHOW-UHFFFAOYSA-N
MW256.39 g/mol
LogP5.31
Rot. Bonds9

About 2-but-2-enylocta-2,7-dienoxybenzene

2-but-2-enylocta-2,7-dienoxybenzene (PubChem CID 54130728) has the molecular formula C18H24O and a molecular weight of 256.39 g/mol. Its IUPAC name is 2-but-2-enylocta-2,7-dienoxybenzene.

Molecular Properties

Compound Name2-but-2-enylocta-2,7-dienoxybenzene
PubChem CID54130728
Molecular FormulaC18H24O
Molecular Weight256.39 g/mol
Exact Mass256.18
IUPAC Name2-but-2-enylocta-2,7-dienoxybenzene
SMILESC=CCCCC=C(CC=CC)COc1ccccc1
InChIInChI=1S/C18H24O/c1-3-5-7-9-13-17(12-6-4-2)16-19-18-14-10-8-11-15-18/h3-4,6,8,10-11,13-15H,1,5,7,9,12,16H2,2H3
InChIKeyNUEDAOBENCIHOW-UHFFFAOYSA-N
XLogP5.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500256.39
LogP ≤ 55.31
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

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but-2-enoxybenzene
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octa-1,6-dienoxybenzene
CID 66617276
anisole;but-3-enoxybenzene
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3-fluoro-2-(phenoxymethyl)prop-2-en-1-amine
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1-[4-[(2E)-2-ethylidenehex-5-enoxy]phenyl]propan-2-ol
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[(2Z,4Z)-2-ethenyliodanuidylhexa-2,4-dienoxy]benzene
CID 156796467
diphenyl hydrogen phosphate;hept-2-ene
CID 160671397
CID 174846151
CID 174846151
hex-1-ene;toluene
CID 22480689
hept-6-en-2-yl phenyl carbonate
CID 139630372

Frequently Asked Questions

What is the IUPAC name of 2-but-2-enylocta-2,7-dienoxybenzene?
The IUPAC name of 2-but-2-enylocta-2,7-dienoxybenzene (CID 54130728) is 2-but-2-enylocta-2,7-dienoxybenzene.
What is the SMILES notation for 2-but-2-enylocta-2,7-dienoxybenzene?
The canonical SMILES for 2-but-2-enylocta-2,7-dienoxybenzene is C=CCCCC=C(CC=CC)COc1ccccc1.
What is the InChIKey of 2-but-2-enylocta-2,7-dienoxybenzene?
The InChIKey is NUEDAOBENCIHOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O/c1-3-5-7-9-13-17(12-6-4-2)16-19-18-14-10-8-11-15-18/h3-4,6,8,10-11,13-15H,1,5,7,9,12,16H2,2H3.
What are the key properties of 2-but-2-enylocta-2,7-dienoxybenzene?
2-but-2-enylocta-2,7-dienoxybenzene has a molecular weight of 256.39 g/mol, XLogP of 5.31, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-2-enylocta-2,7-dienoxybenzene is sourced from PubChem (CID 54130728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).