2-[1-(cyclopenten-1-yl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C13H21BO2 — CID 134890674

IUPAC2-[1-(cyclopenten-1-yl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESC=C(B1OC(C)(C)C(C)(C)O1)C1=CCCC1
InChIInChI=1S/C13H21BO2/c1-10(11-8-6-7-9-11)14-15-12(2,3)13(4,5)16-14/h8H,1,6-7,9H2,2-5H3
InChIKeyPUHJSNZWLCMXPP-UHFFFAOYSA-N
MW220.12 g/mol
LogP3.28
Rot. Bonds2

About 2-[1-(cyclopenten-1-yl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-[1-(cyclopenten-1-yl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 134890674) has the molecular formula C13H21BO2 and a molecular weight of 220.12 g/mol. Its IUPAC name is 2-[1-(cyclopenten-1-yl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-[1-(cyclopenten-1-yl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID134890674
Molecular FormulaC13H21BO2
Molecular Weight220.12 g/mol
Exact Mass220.16
IUPAC Name2-[1-(cyclopenten-1-yl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESC=C(B1OC(C)(C)C(C)(C)O1)C1=CCCC1
InChIInChI=1S/C13H21BO2/c1-10(11-8-6-7-9-11)14-15-12(2,3)13(4,5)16-14/h8H,1,6-7,9H2,2-5H3
InChIKeyPUHJSNZWLCMXPP-UHFFFAOYSA-N
XLogP3.28
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.12
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(Cyclopent-1-en-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 15486611
2-(Cyclohex-1-en-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 10932675
1-Cycloheptenylboronic acid pinacol ester
CID 15486609
2-Cyclopenta-1,3-dien-1-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 13828422
(Z)-4,4,5,5-tetramethyl-2-(oct-4-en-4-yl)-1,3,2-dioxaborolane
CID 11264894
(E)-2-(2-(cyclohex-1-en-1-yl)vinyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 11310851
2-[(Z)-dodec-6-en-6-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 149059896
Agn-PC-009zql
CID 11482352
2-Cyclohex-2-en-1-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 11252761
2-(2-Cyclopenten-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 15486612
2-[(E)-hex-2-en-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 15748687
2-[(2E)-3,7-Dimethylocta-2,6-dien-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 57416217

Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclopenten-1-yl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-[1-(cyclopenten-1-yl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 134890674) is 2-[1-(cyclopenten-1-yl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-[1-(cyclopenten-1-yl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-[1-(cyclopenten-1-yl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is C=C(B1OC(C)(C)C(C)(C)O1)C1=CCCC1.
What is the InChIKey of 2-[1-(cyclopenten-1-yl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is PUHJSNZWLCMXPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BO2/c1-10(11-8-6-7-9-11)14-15-12(2,3)13(4,5)16-14/h8H,1,6-7,9H2,2-5H3.
What are the key properties of 2-[1-(cyclopenten-1-yl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-[1-(cyclopenten-1-yl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 220.12 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclopenten-1-yl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 134890674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).