4-(2-butoxyethyl)-1,2-bis(ethenyl)benzene

C16H22O — CID 142240951

IUPAC4-(2-butoxyethyl)-1,2-bis(ethenyl)benzene
SMILESC=Cc1ccc(CCOCCCC)cc1C=C
InChIInChI=1S/C16H22O/c1-4-7-11-17-12-10-14-8-9-15(5-2)16(6-3)13-14/h5-6,8-9,13H,2-4,7,10-12H2,1H3
InChIKeyGGPYXVPECKDSBE-UHFFFAOYSA-N
MW230.35 g/mol
LogP4.33
Rot. Bonds8

About 4-(2-butoxyethyl)-1,2-bis(ethenyl)benzene

4-(2-butoxyethyl)-1,2-bis(ethenyl)benzene (PubChem CID 142240951) has the molecular formula C16H22O and a molecular weight of 230.35 g/mol. Its IUPAC name is 4-(2-butoxyethyl)-1,2-bis(ethenyl)benzene.

Molecular Properties

Compound Name4-(2-butoxyethyl)-1,2-bis(ethenyl)benzene
PubChem CID142240951
Molecular FormulaC16H22O
Molecular Weight230.35 g/mol
Exact Mass230.17
IUPAC Name4-(2-butoxyethyl)-1,2-bis(ethenyl)benzene
SMILESC=Cc1ccc(CCOCCCC)cc1C=C
InChIInChI=1S/C16H22O/c1-4-7-11-17-12-10-14-8-9-15(5-2)16(6-3)13-14/h5-6,8-9,13H,2-4,7,10-12H2,1H3
InChIKeyGGPYXVPECKDSBE-UHFFFAOYSA-N
XLogP4.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 54.33
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

1,2-bis(ethenyl)-4-propylbenzene
CID 142025634
1-[2-(2-butoxyethoxy)ethyl]-4-ethenylbenzene
CID 67776293
1,4-dibutyl-2-ethenylbenzene
CID 140596757
4-(2-butoxyethyl)-1H-pyridin-2-one
CID 89218286
1-ethenyl-2,4-dipropylbenzene
CID 22033822
1-(2-heptoxyethyl)-4-methoxybenzene
CID 54035904
1-propyl-4-[2-[2-(4-propylphenyl)ethoxy]ethyl]benzene
CID 167637922
4-(2-pentoxyethyl)phenol
CID 67806399
[3,4-bis(ethenyl)phenyl]methylphosphane
CID 166143558
1,2-bis(ethenyl)-4-ethoxybenzene
CID 142802318
2-pentoxyethylbenzene
CID 3022447
1-ethenyl-4-(2-octoxyethoxymethyl)benzene
CID 156621378

Frequently Asked Questions

What is the IUPAC name of 4-(2-butoxyethyl)-1,2-bis(ethenyl)benzene?
The IUPAC name of 4-(2-butoxyethyl)-1,2-bis(ethenyl)benzene (CID 142240951) is 4-(2-butoxyethyl)-1,2-bis(ethenyl)benzene.
What is the SMILES notation for 4-(2-butoxyethyl)-1,2-bis(ethenyl)benzene?
The canonical SMILES for 4-(2-butoxyethyl)-1,2-bis(ethenyl)benzene is C=Cc1ccc(CCOCCCC)cc1C=C.
What is the InChIKey of 4-(2-butoxyethyl)-1,2-bis(ethenyl)benzene?
The InChIKey is GGPYXVPECKDSBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O/c1-4-7-11-17-12-10-14-8-9-15(5-2)16(6-3)13-14/h5-6,8-9,13H,2-4,7,10-12H2,1H3.
What are the key properties of 4-(2-butoxyethyl)-1,2-bis(ethenyl)benzene?
4-(2-butoxyethyl)-1,2-bis(ethenyl)benzene has a molecular weight of 230.35 g/mol, XLogP of 4.33, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-butoxyethyl)-1,2-bis(ethenyl)benzene is sourced from PubChem (CID 142240951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).