2-[(E)-1-cyclopentylprop-1-en-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C14H25BO2 — CID 134978718

IUPAC2-[(E)-1-cyclopentylprop-1-en-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESC/C(=C/C1CCCC1)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C14H25BO2/c1-11(10-12-8-6-7-9-12)15-16-13(2,3)14(4,5)17-15/h10,12H,6-9H2,1-5H3/b11-10-
InChIKeyUJKWRINICOOWQZ-KHPPLWFESA-N
MW236.16 g/mol
LogP3.75
Rot. Bonds2

About 2-[(E)-1-cyclopentylprop-1-en-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-[(E)-1-cyclopentylprop-1-en-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 134978718) has the molecular formula C14H25BO2 and a molecular weight of 236.16 g/mol. Its IUPAC name is 2-[(E)-1-cyclopentylprop-1-en-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-[(E)-1-cyclopentylprop-1-en-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID134978718
Molecular FormulaC14H25BO2
Molecular Weight236.16 g/mol
Exact Mass236.19
IUPAC Name2-[(E)-1-cyclopentylprop-1-en-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESC/C(=C/C1CCCC1)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C14H25BO2/c1-11(10-12-8-6-7-9-12)15-16-13(2,3)14(4,5)17-15/h10,12H,6-9H2,1-5H3/b11-10-
InChIKeyUJKWRINICOOWQZ-KHPPLWFESA-N
XLogP3.75
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.16
LogP ≤ 53.75
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
4,4,5,5-Tetramethyl-2-(4-methylcyclohex-1-en-1-yl)-1,3,2-dioxaborolane
CID 58924635
2-(1-Cyclopentylethenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 90093321
4,4,5,5-Tetramethyl-2-[4-(trifluoromethyl)-1-cyclohexen-1-yl]-1,3,2-dioxaborolane
CID 11565340
2-(4-tert-Butylcyclohex-1-en-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 15486605
2-(4,4-Dimethylcyclohex-1-en-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 23142013
2-(5,5-Dimethylcyclohex-1-en-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 72221108
4,4,5,5-Tetramethyl-2-[4-(propan-2-yl)cyclohex-1-en-1-yl]-1,3,2-dioxaborolane
CID 74788596
2-{Bicyclo[2.2.1]hept-2-en-2-yl}-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 118798230
2-{Bicyclo[3.1.0]hex-2-en-3-yl}-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 138039625
4,4,5,5-Tetramethyl-2-[(3-methylcyclopentylidene)methyl]-1,3,2-dioxaborolane
CID 165456335

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-1-cyclopentylprop-1-en-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-[(E)-1-cyclopentylprop-1-en-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 134978718) is 2-[(E)-1-cyclopentylprop-1-en-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-[(E)-1-cyclopentylprop-1-en-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-[(E)-1-cyclopentylprop-1-en-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is C/C(=C/C1CCCC1)B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of 2-[(E)-1-cyclopentylprop-1-en-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is UJKWRINICOOWQZ-KHPPLWFESA-N. The full InChI is InChI=1S/C14H25BO2/c1-11(10-12-8-6-7-9-12)15-16-13(2,3)14(4,5)17-15/h10,12H,6-9H2,1-5H3/b11-10-.
What are the key properties of 2-[(E)-1-cyclopentylprop-1-en-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-[(E)-1-cyclopentylprop-1-en-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 236.16 g/mol, XLogP of 3.75, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-1-cyclopentylprop-1-en-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 134978718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).