2-[4-(1,3-dioxolan-2-yl)cyclohexen-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C15H25BO4 — CID 140912895

IUPAC2-[4-(1,3-dioxolan-2-yl)cyclohexen-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OB(C2=CCC(C3OCCO3)CC2)OC1(C)C
InChIInChI=1S/C15H25BO4/c1-14(2)15(3,4)20-16(19-14)12-7-5-11(6-8-12)13-17-9-10-18-13/h7,11,13H,5-6,8-10H2,1-4H3
InChIKeyAFXVNYXEXDGEHM-UHFFFAOYSA-N
MW280.17 g/mol
LogP2.72
Rot. Bonds2

About 2-[4-(1,3-dioxolan-2-yl)cyclohexen-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-[4-(1,3-dioxolan-2-yl)cyclohexen-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 140912895) has the molecular formula C15H25BO4 and a molecular weight of 280.17 g/mol. Its IUPAC name is 2-[4-(1,3-dioxolan-2-yl)cyclohexen-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-[4-(1,3-dioxolan-2-yl)cyclohexen-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID140912895
Molecular FormulaC15H25BO4
Molecular Weight280.17 g/mol
Exact Mass280.18
IUPAC Name2-[4-(1,3-dioxolan-2-yl)cyclohexen-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OB(C2=CCC(C3OCCO3)CC2)OC1(C)C
InChIInChI=1S/C15H25BO4/c1-14(2)15(3,4)20-16(19-14)12-7-5-11(6-8-12)13-17-9-10-18-13/h7,11,13H,5-6,8-10H2,1-4H3
InChIKeyAFXVNYXEXDGEHM-UHFFFAOYSA-N
XLogP2.72
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.17
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

8-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1,4-dioxaspiro(4.5)dec-7-ene
CID 3697076
2-(Cyclohex-3-en-1-ylmethyl)-4,4,5,5-tetramethyl-1,3-dioxolane
CID 101789306
4,4,5,5-tetramethyl-2-[(Z)-5-(2-methyl-1,3-dioxolan-2-yl)pent-2-enyl]-1,3,2-dioxaborolane
CID 176427260
2-(6-Methylcyclohex-3-en-1-yl)-1,3-dioxolane
CID 230184
4,5-Dimethyl-2-(6-methylcyclohex-3-en-1-yl)-1,3-dioxolane
CID 230188
4,4,5,5-Tetramethyl-2-(1,4-dioxaspiro[4.5]dec-7-en-7-yl)-1,3,2-dioxaborolane
CID 45158874
2-(1,4-Dioxaspiro[4.5]dec-7-en-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 90460669
4,4,5,5-Tetramethyl-2-[5-(2-methyl-1,3-dioxolan-2-yl)pent-2-en-3-yl]-1,3,2-dioxaborolane
CID 123333832
4,4,5,5-Tetramethyl-2-(6-methyl-1,4-dioxaspiro[4.5]dec-8-en-8-yl)-1,3,2-dioxaborolane
CID 140851036
4,4,5,5-Tetramethyl-2-(6-methyl-1,4-dioxaspiro[4.5]dec-7-en-8-yl)-1,3,2-dioxaborolane
CID 140851039
Ethane;4,4,5,5-tetramethyl-2-(6-methyl-1,4-dioxaspiro[4.5]dec-8-en-8-yl)-1,3,2-dioxaborolane
CID 142303134
2-(1,4-Dioxaspiro[4.5]dec-7-en-8-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;ethane
CID 144076561

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,3-dioxolan-2-yl)cyclohexen-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-[4-(1,3-dioxolan-2-yl)cyclohexen-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 140912895) is 2-[4-(1,3-dioxolan-2-yl)cyclohexen-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-[4-(1,3-dioxolan-2-yl)cyclohexen-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-[4-(1,3-dioxolan-2-yl)cyclohexen-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CC1(C)OB(C2=CCC(C3OCCO3)CC2)OC1(C)C.
What is the InChIKey of 2-[4-(1,3-dioxolan-2-yl)cyclohexen-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is AFXVNYXEXDGEHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25BO4/c1-14(2)15(3,4)20-16(19-14)12-7-5-11(6-8-12)13-17-9-10-18-13/h7,11,13H,5-6,8-10H2,1-4H3.
What are the key properties of 2-[4-(1,3-dioxolan-2-yl)cyclohexen-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-[4-(1,3-dioxolan-2-yl)cyclohexen-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 280.17 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,3-dioxolan-2-yl)cyclohexen-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 140912895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).