1-but-2-enoxy-4-but-2-enylbenzene

C14H18O — CID 70608541

IUPAC1-but-2-enoxy-4-but-2-enylbenzene
SMILESCC=CCOc1ccc(CC=CC)cc1
InChIInChI=1S/C14H18O/c1-3-5-7-13-8-10-14(11-9-13)15-12-6-4-2/h3-6,8-11H,7,12H2,1-2H3
InChIKeyHQCNAWVAMSHMRZ-UHFFFAOYSA-N
MW202.30 g/mol
LogP3.76
Rot. Bonds5

About 1-but-2-enoxy-4-but-2-enylbenzene

1-but-2-enoxy-4-but-2-enylbenzene (PubChem CID 70608541) has the molecular formula C14H18O and a molecular weight of 202.30 g/mol. Its IUPAC name is 1-but-2-enoxy-4-but-2-enylbenzene.

Molecular Properties

Compound Name1-but-2-enoxy-4-but-2-enylbenzene
PubChem CID70608541
Molecular FormulaC14H18O
Molecular Weight202.30 g/mol
Exact Mass202.14
IUPAC Name1-but-2-enoxy-4-but-2-enylbenzene
SMILESCC=CCOc1ccc(CC=CC)cc1
InChIInChI=1S/C14H18O/c1-3-5-7-13-8-10-14(11-9-13)15-12-6-4-2/h3-6,8-11H,7,12H2,1-2H3
InChIKeyHQCNAWVAMSHMRZ-UHFFFAOYSA-N
XLogP3.76
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.76
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

1-[4-[(E)-but-2-enoxy]phenyl]butan-2-amine
CID 60907948
4-[4-[(E)-but-2-enoxy]phenyl]butan-2-amine
CID 60879766
1-[(E)-but-2-enoxy]-4-iodobenzene
CID 87803030
but-2-enoxybenzene
CID 564963
1-[(E)-but-2-enoxy]-4-tert-butylbenzene
CID 59776904
1-[(E)-but-2-enyl]-4-(4-ethoxybutoxy)benzene
CID 173339837
4-[(E)-but-2-enoxy]benzonitrile
CID 24709745
2-amino-3-[4-[(E)-but-2-enoxy]phenyl]propanoic acid
CID 143493409
[4-[(Z)-but-2-enoxy]phenyl]boronic acid
CID 99880540
methyl 3-(4-but-2-enoxyphenyl)propanoate
CID 71395339
(4-but-2-enylphenyl) acetate
CID 57109084
2,5-bis(4-but-2-enoxyphenyl)thiophene
CID 54197936

Frequently Asked Questions

What is the IUPAC name of 1-but-2-enoxy-4-but-2-enylbenzene?
The IUPAC name of 1-but-2-enoxy-4-but-2-enylbenzene (CID 70608541) is 1-but-2-enoxy-4-but-2-enylbenzene.
What is the SMILES notation for 1-but-2-enoxy-4-but-2-enylbenzene?
The canonical SMILES for 1-but-2-enoxy-4-but-2-enylbenzene is CC=CCOc1ccc(CC=CC)cc1.
What is the InChIKey of 1-but-2-enoxy-4-but-2-enylbenzene?
The InChIKey is HQCNAWVAMSHMRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O/c1-3-5-7-13-8-10-14(11-9-13)15-12-6-4-2/h3-6,8-11H,7,12H2,1-2H3.
What are the key properties of 1-but-2-enoxy-4-but-2-enylbenzene?
1-but-2-enoxy-4-but-2-enylbenzene has a molecular weight of 202.30 g/mol, XLogP of 3.76, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-2-enoxy-4-but-2-enylbenzene is sourced from PubChem (CID 70608541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).