2-pent-1-en-2-yl-1,3,2-benzodioxaborole

C11H13BO2 — CID 134903924

IUPAC2-pent-1-en-2-yl-1,3,2-benzodioxaborole
SMILESC=C(CCC)B1Oc2ccccc2O1
InChIInChI=1S/C11H13BO2/c1-3-6-9(2)12-13-10-7-4-5-8-11(10)14-12/h4-5,7-8H,2-3,6H2,1H3
InChIKeyKWQFLQJHMZCCSZ-UHFFFAOYSA-N
MW188.03 g/mol
LogP2.84
Rot. Bonds3

About 2-pent-1-en-2-yl-1,3,2-benzodioxaborole

2-pent-1-en-2-yl-1,3,2-benzodioxaborole (PubChem CID 134903924) has the molecular formula C11H13BO2 and a molecular weight of 188.03 g/mol. Its IUPAC name is 2-pent-1-en-2-yl-1,3,2-benzodioxaborole.

Molecular Properties

Compound Name2-pent-1-en-2-yl-1,3,2-benzodioxaborole
PubChem CID134903924
Molecular FormulaC11H13BO2
Molecular Weight188.03 g/mol
Exact Mass188.10
IUPAC Name2-pent-1-en-2-yl-1,3,2-benzodioxaborole
SMILESC=C(CCC)B1Oc2ccccc2O1
InChIInChI=1S/C11H13BO2/c1-3-6-9(2)12-13-10-7-4-5-8-11(10)14-12/h4-5,7-8H,2-3,6H2,1H3
InChIKeyKWQFLQJHMZCCSZ-UHFFFAOYSA-N
XLogP2.84
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.03
LogP ≤ 52.84
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

pent-1-en-2-ylbenzene
CID 521761
8-propyl-8,8'-spirobi[7,9-dioxa-8-silanuidabicyclo[4.3.0]nona-1,3,5-triene]
CID 138973780
1-[(Z)-2-methylpent-1-enyl]sulfanylethenylbenzene
CID 170033214
N,N-dimethyl-1-phenylmethanamine;2-methylidenepentanoic acid
CID 173041614
2-[(E)-but-1-enyl]-1,3,2-benzodioxaborole
CID 11240765
1-phenylbutan-1-one
CID 10315
pent-1-en-2-yl benzoate
CID 13444592
CID 156780350
CID 156780350
hexa-1,2-dien-3-yl-dimethyl-phenylsilane
CID 11736076
4,4,5,5-tetramethyl-2-[(Z)-1-phenylpent-1-en-2-yl]-1,3,2-dioxaborolane
CID 66553482
1-[dimethyl(phenyl)silyl]butan-1-one
CID 10822186
1-ethyl-2-pent-1-en-2-ylbenzene
CID 173350978

Frequently Asked Questions

What is the IUPAC name of 2-pent-1-en-2-yl-1,3,2-benzodioxaborole?
The IUPAC name of 2-pent-1-en-2-yl-1,3,2-benzodioxaborole (CID 134903924) is 2-pent-1-en-2-yl-1,3,2-benzodioxaborole.
What is the SMILES notation for 2-pent-1-en-2-yl-1,3,2-benzodioxaborole?
The canonical SMILES for 2-pent-1-en-2-yl-1,3,2-benzodioxaborole is C=C(CCC)B1Oc2ccccc2O1.
What is the InChIKey of 2-pent-1-en-2-yl-1,3,2-benzodioxaborole?
The InChIKey is KWQFLQJHMZCCSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BO2/c1-3-6-9(2)12-13-10-7-4-5-8-11(10)14-12/h4-5,7-8H,2-3,6H2,1H3.
What are the key properties of 2-pent-1-en-2-yl-1,3,2-benzodioxaborole?
2-pent-1-en-2-yl-1,3,2-benzodioxaborole has a molecular weight of 188.03 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pent-1-en-2-yl-1,3,2-benzodioxaborole is sourced from PubChem (CID 134903924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).