4,4,5,5-tetramethyl-2-[(5S)-4,4,5-trimethylcyclohexen-1-yl]-1,3,2-dioxaborolane

C15H27BO2 — CID 142729657

IUPAC4,4,5,5-tetramethyl-2-[(5S)-4,4,5-trimethylcyclohexen-1-yl]-1,3,2-dioxaborolane
SMILESC[C@H]1CC(B2OC(C)(C)C(C)(C)O2)=CCC1(C)C
InChIInChI=1S/C15H27BO2/c1-11-10-12(8-9-13(11,2)3)16-17-14(4,5)15(6,7)18-16/h8,11H,9-10H2,1-7H3/t11-/m0/s1
InChIKeyAHCURVZCPRUYNH-NSHDSACASA-N
MW250.19 g/mol
LogP4.00
Rot. Bonds1

About 4,4,5,5-tetramethyl-2-[(5S)-4,4,5-trimethylcyclohexen-1-yl]-1,3,2-dioxaborolane

4,4,5,5-tetramethyl-2-[(5S)-4,4,5-trimethylcyclohexen-1-yl]-1,3,2-dioxaborolane (PubChem CID 142729657) has the molecular formula C15H27BO2 and a molecular weight of 250.19 g/mol. Its IUPAC name is 4,4,5,5-tetramethyl-2-[(5S)-4,4,5-trimethylcyclohexen-1-yl]-1,3,2-dioxaborolane.

Molecular Properties

Compound Name4,4,5,5-tetramethyl-2-[(5S)-4,4,5-trimethylcyclohexen-1-yl]-1,3,2-dioxaborolane
PubChem CID142729657
Molecular FormulaC15H27BO2
Molecular Weight250.19 g/mol
Exact Mass250.21
IUPAC Name4,4,5,5-tetramethyl-2-[(5S)-4,4,5-trimethylcyclohexen-1-yl]-1,3,2-dioxaborolane
SMILESC[C@H]1CC(B2OC(C)(C)C(C)(C)O2)=CCC1(C)C
InChIInChI=1S/C15H27BO2/c1-11-10-12(8-9-13(11,2)3)16-17-14(4,5)15(6,7)18-16/h8,11H,9-10H2,1-7H3/t11-/m0/s1
InChIKeyAHCURVZCPRUYNH-NSHDSACASA-N
XLogP4.00
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.19
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,4,5,5-tetramethyl-2-[(5S)-4,4,5-trimethylcyclohexen-1-yl]-1,3,2-dioxaborolane?
The IUPAC name of 4,4,5,5-tetramethyl-2-[(5S)-4,4,5-trimethylcyclohexen-1-yl]-1,3,2-dioxaborolane (CID 142729657) is 4,4,5,5-tetramethyl-2-[(5S)-4,4,5-trimethylcyclohexen-1-yl]-1,3,2-dioxaborolane.
What is the SMILES notation for 4,4,5,5-tetramethyl-2-[(5S)-4,4,5-trimethylcyclohexen-1-yl]-1,3,2-dioxaborolane?
The canonical SMILES for 4,4,5,5-tetramethyl-2-[(5S)-4,4,5-trimethylcyclohexen-1-yl]-1,3,2-dioxaborolane is C[C@H]1CC(B2OC(C)(C)C(C)(C)O2)=CCC1(C)C.
What is the InChIKey of 4,4,5,5-tetramethyl-2-[(5S)-4,4,5-trimethylcyclohexen-1-yl]-1,3,2-dioxaborolane?
The InChIKey is AHCURVZCPRUYNH-NSHDSACASA-N. The full InChI is InChI=1S/C15H27BO2/c1-11-10-12(8-9-13(11,2)3)16-17-14(4,5)15(6,7)18-16/h8,11H,9-10H2,1-7H3/t11-/m0/s1.
What are the key properties of 4,4,5,5-tetramethyl-2-[(5S)-4,4,5-trimethylcyclohexen-1-yl]-1,3,2-dioxaborolane?
4,4,5,5-tetramethyl-2-[(5S)-4,4,5-trimethylcyclohexen-1-yl]-1,3,2-dioxaborolane has a molecular weight of 250.19 g/mol, XLogP of 4.00, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5-tetramethyl-2-[(5S)-4,4,5-trimethylcyclohexen-1-yl]-1,3,2-dioxaborolane is sourced from PubChem (CID 142729657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).