4,4,5,5-tetramethyl-2-(1-tricyclo[3.3.1.13,7]dec-2-enyl)-1,3,2-dioxaborolane

C16H25BO2 — CID 163978383

IUPAC4,4,5,5-tetramethyl-2-(1-tricyclo[3.3.1.13,7]dec-2-enyl)-1,3,2-dioxaborolane
SMILESCC1(C)OB(C23C=C4CC(CC(C4)C2)C3)OC1(C)C
InChIInChI=1S/C16H25BO2/c1-14(2)15(3,4)19-17(18-14)16-8-11-5-12(9-16)7-13(6-11)10-16/h8,12-13H,5-7,9-10H2,1-4H3
InChIKeySWEGEQCPAXGNFJ-UHFFFAOYSA-N
MW260.19 g/mol
LogP3.97
Rot. Bonds1

About 4,4,5,5-tetramethyl-2-(1-tricyclo[3.3.1.13,7]dec-2-enyl)-1,3,2-dioxaborolane

4,4,5,5-tetramethyl-2-(1-tricyclo[3.3.1.13,7]dec-2-enyl)-1,3,2-dioxaborolane (PubChem CID 163978383) has the molecular formula C16H25BO2 and a molecular weight of 260.19 g/mol. Its IUPAC name is 4,4,5,5-tetramethyl-2-(1-tricyclo[3.3.1.13,7]dec-2-enyl)-1,3,2-dioxaborolane.

Molecular Properties

Compound Name4,4,5,5-tetramethyl-2-(1-tricyclo[3.3.1.13,7]dec-2-enyl)-1,3,2-dioxaborolane
PubChem CID163978383
Molecular FormulaC16H25BO2
Molecular Weight260.19 g/mol
Exact Mass260.19
IUPAC Name4,4,5,5-tetramethyl-2-(1-tricyclo[3.3.1.13,7]dec-2-enyl)-1,3,2-dioxaborolane
SMILESCC1(C)OB(C23C=C4CC(CC(C4)C2)C3)OC1(C)C
InChIInChI=1S/C16H25BO2/c1-14(2)15(3,4)19-17(18-14)16-8-11-5-12(9-16)7-13(6-11)10-16/h8,12-13H,5-7,9-10H2,1-4H3
InChIKeySWEGEQCPAXGNFJ-UHFFFAOYSA-N
XLogP3.97
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.19
LogP ≤ 53.97
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-[(E)-3-cyclohexylbut-2-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 102523471
2-[(E)-2-cyclohexylbut-2-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 102523473
2-((1s,3s)-3-(Cyclohex-1-en-1-yl)-1-cyclohexylcyclobutyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 134821180
2-[(Z)-1-cyclohexylbut-1-en-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 135053484
2-[(E)-1-cyclohexylbut-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 135086327
2-[(1R,6E)-1-cyclohexyl-6-ethylidenecyclohexa-2,4-dien-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 138968672
4,4,5,5-tetramethyl-2-[(Z)-4-[(1R,5S)-2-methylidene-5-prop-1-en-2-ylcyclohexyl]but-2-en-2-yl]-1,3,2-dioxaborolane
CID 146168144
2-(7,11-Dimethyldodec-10-en-6-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 146168889
2-(2,7-Ditert-butyl-8,10b-dihydropyren-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 162419251
2-[(E)-3-(1-adamantyl)prop-2-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 164673330
4,4,5,5-tetramethyl-2-[(2E)-2-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexylidene]ethyl]-1,3,2-dioxaborolane
CID 164673675
4,4,5,5-tetramethyl-2-[(E)-2-[(1R)-4-methylcyclohex-3-en-1-yl]prop-1-enyl]-1,3,2-dioxaborolane
CID 176426787

Frequently Asked Questions

What is the IUPAC name of 4,4,5,5-tetramethyl-2-(1-tricyclo[3.3.1.13,7]dec-2-enyl)-1,3,2-dioxaborolane?
The IUPAC name of 4,4,5,5-tetramethyl-2-(1-tricyclo[3.3.1.13,7]dec-2-enyl)-1,3,2-dioxaborolane (CID 163978383) is 4,4,5,5-tetramethyl-2-(1-tricyclo[3.3.1.13,7]dec-2-enyl)-1,3,2-dioxaborolane.
What is the SMILES notation for 4,4,5,5-tetramethyl-2-(1-tricyclo[3.3.1.13,7]dec-2-enyl)-1,3,2-dioxaborolane?
The canonical SMILES for 4,4,5,5-tetramethyl-2-(1-tricyclo[3.3.1.13,7]dec-2-enyl)-1,3,2-dioxaborolane is CC1(C)OB(C23C=C4CC(CC(C4)C2)C3)OC1(C)C.
What is the InChIKey of 4,4,5,5-tetramethyl-2-(1-tricyclo[3.3.1.13,7]dec-2-enyl)-1,3,2-dioxaborolane?
The InChIKey is SWEGEQCPAXGNFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BO2/c1-14(2)15(3,4)19-17(18-14)16-8-11-5-12(9-16)7-13(6-11)10-16/h8,12-13H,5-7,9-10H2,1-4H3.
What are the key properties of 4,4,5,5-tetramethyl-2-(1-tricyclo[3.3.1.13,7]dec-2-enyl)-1,3,2-dioxaborolane?
4,4,5,5-tetramethyl-2-(1-tricyclo[3.3.1.13,7]dec-2-enyl)-1,3,2-dioxaborolane has a molecular weight of 260.19 g/mol, XLogP of 3.97, 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-(1-tricyclo[3.3.1.13,7]dec-2-enyl)-1,3,2-dioxaborolane is sourced from PubChem (CID 163978383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).