2-(3,4,4b,8a-tetrahydrophenanthren-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C20H25BO2 — CID 143872522

IUPAC2-(3,4,4b,8a-tetrahydrophenanthren-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OB(C2=CC3=C(CC2)C2C=CC=CC2C=C3)OC1(C)C
InChIInChI=1S/C20H25BO2/c1-19(2)20(3,4)23-21(22-19)16-11-12-18-15(13-16)10-9-14-7-5-6-8-17(14)18/h5-10,13-14,17H,11-12H2,1-4H3
InChIKeyULSTXPLZAKOVNE-UHFFFAOYSA-N
MW308.23 g/mol
LogP4.56
Rot. Bonds1

About 2-(3,4,4b,8a-tetrahydrophenanthren-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-(3,4,4b,8a-tetrahydrophenanthren-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 143872522) has the molecular formula C20H25BO2 and a molecular weight of 308.23 g/mol. Its IUPAC name is 2-(3,4,4b,8a-tetrahydrophenanthren-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-(3,4,4b,8a-tetrahydrophenanthren-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID143872522
Molecular FormulaC20H25BO2
Molecular Weight308.23 g/mol
Exact Mass308.19
IUPAC Name2-(3,4,4b,8a-tetrahydrophenanthren-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OB(C2=CC3=C(CC2)C2C=CC=CC2C=C3)OC1(C)C
InChIInChI=1S/C20H25BO2/c1-19(2)20(3,4)23-21(22-19)16-11-12-18-15(13-16)10-9-14-7-5-6-8-17(14)18/h5-10,13-14,17H,11-12H2,1-4H3
InChIKeyULSTXPLZAKOVNE-UHFFFAOYSA-N
XLogP4.56
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.23
LogP ≤ 54.56
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-(5,5-difluoro-1-methyl-2,6,7,8-tetrahydro-1H-naphthalen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 123658778
2-(8,8-difluoro-4-methyl-4a,5,6,7-tetrahydro-4H-naphthalen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 164008442
2-[(1R,6E)-1-cyclohexyl-6-ethylidenecyclohexa-2,4-dien-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 138968672
2-[(4aS,8aS)-4a,5,6,7,8,8a-hexahydronaphthalen-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 138969780
2-[(2E,4E)-5-cyclohexylpenta-2,4-dien-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 139124851
2-[(2E,4E)-5-(cyclohexen-1-yl)penta-2,4-dien-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 154719959
2-(2,7-Ditert-butyl-8,10b-dihydropyren-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 162419251
4,4,5,5-tetramethyl-2-[(E)-2-[(1R)-4-methylcyclohex-3-en-1-yl]prop-1-enyl]-1,3,2-dioxaborolane
CID 176426787
4,4,5,5-Tetramethyl-2-[2-(4-methylcyclohex-3-en-1-yl)propan-2-yl]-1,3,2-dioxaborolane
CID 176434560
4,4,5,5-tetramethyl-2-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]-1,3,2-dioxaborolane
CID 102442726
2-(2,3-Dihydroanthracen-9-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 58174861
2-(4-Cyclohexa-2,4-dien-1-ylcyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 68405033

Frequently Asked Questions

What is the IUPAC name of 2-(3,4,4b,8a-tetrahydrophenanthren-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-(3,4,4b,8a-tetrahydrophenanthren-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 143872522) is 2-(3,4,4b,8a-tetrahydrophenanthren-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-(3,4,4b,8a-tetrahydrophenanthren-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-(3,4,4b,8a-tetrahydrophenanthren-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CC1(C)OB(C2=CC3=C(CC2)C2C=CC=CC2C=C3)OC1(C)C.
What is the InChIKey of 2-(3,4,4b,8a-tetrahydrophenanthren-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is ULSTXPLZAKOVNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25BO2/c1-19(2)20(3,4)23-21(22-19)16-11-12-18-15(13-16)10-9-14-7-5-6-8-17(14)18/h5-10,13-14,17H,11-12H2,1-4H3.
What are the key properties of 2-(3,4,4b,8a-tetrahydrophenanthren-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-(3,4,4b,8a-tetrahydrophenanthren-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 308.23 g/mol, XLogP of 4.56, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4,4b,8a-tetrahydrophenanthren-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 143872522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).