2-cyclohex-3-en-1-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C12H21BO2 — CID 102493054

IUPAC2-cyclohex-3-en-1-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OB(C2CC=CCC2)OC1(C)C
InChIInChI=1S/C12H21BO2/c1-11(2)12(3,4)15-13(14-11)10-8-6-5-7-9-10/h5-6,10H,7-9H2,1-4H3
InChIKeyPFEXYFWMYBJMQK-UHFFFAOYSA-N
MW208.11 g/mol
LogP3.19
Rot. Bonds1

About 2-cyclohex-3-en-1-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-cyclohex-3-en-1-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 102493054) has the molecular formula C12H21BO2 and a molecular weight of 208.11 g/mol. Its IUPAC name is 2-cyclohex-3-en-1-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-cyclohex-3-en-1-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID102493054
Molecular FormulaC12H21BO2
Molecular Weight208.11 g/mol
Exact Mass208.16
IUPAC Name2-cyclohex-3-en-1-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OB(C2CC=CCC2)OC1(C)C
InChIInChI=1S/C12H21BO2/c1-11(2)12(3,4)15-13(14-11)10-8-6-5-7-9-10/h5-6,10H,7-9H2,1-4H3
InChIKeyPFEXYFWMYBJMQK-UHFFFAOYSA-N
XLogP3.19
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.11
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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-[(E)-hex-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 11106616
4,4,5,5-Tetramethyl-2-[(1E)-pent-1-en-1-yl]-1,3,2-dioxaborolane
CID 15211560
2-(Cyclohex-1-en-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 10932675
1-Cycloheptenylboronic acid pinacol ester
CID 15486609
4,4,5,5-Tetramethyl-2-(4-methylcyclohex-1-en-1-yl)-1,3,2-dioxaborolane
CID 58924635
(E)-2-(Hept-1-en-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 15181925
4,4,5,5-Tetramethyl-2-(pent-1-en-3-yl)-1,3,2-dioxaborolane
CID 11701200
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
4,4,5,5-Tetramethyl-2-(spiro[2.5]oct-5-en-6-yl)-1,3,2-dioxaborolane
CID 23142541
4,4,5,5-tetramethyl-2-((2Z)-pent-2-en-3-yl)-1,3,2-dioxaborolane
CID 58548511

Frequently Asked Questions

What is the IUPAC name of 2-cyclohex-3-en-1-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-cyclohex-3-en-1-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 102493054) is 2-cyclohex-3-en-1-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-cyclohex-3-en-1-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-cyclohex-3-en-1-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CC1(C)OB(C2CC=CCC2)OC1(C)C.
What is the InChIKey of 2-cyclohex-3-en-1-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is PFEXYFWMYBJMQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21BO2/c1-11(2)12(3,4)15-13(14-11)10-8-6-5-7-9-10/h5-6,10H,7-9H2,1-4H3.
What are the key properties of 2-cyclohex-3-en-1-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-cyclohex-3-en-1-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 208.11 g/mol, XLogP of 3.19, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohex-3-en-1-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 102493054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).