4,4,5,5-tetramethyl-2-(1-spiro[3.5]nonan-2-ylethenyl)-1,3,2-dioxaborolane

C17H29BO2 — CID 138981013

IUPAC4,4,5,5-tetramethyl-2-(1-spiro[3.5]nonan-2-ylethenyl)-1,3,2-dioxaborolane
SMILESC=C(B1OC(C)(C)C(C)(C)O1)C1CC2(CCCCC2)C1
InChIInChI=1S/C17H29BO2/c1-13(18-19-15(2,3)16(4,5)20-18)14-11-17(12-14)9-7-6-8-10-17/h14H,1,6-12H2,2-5H3
InChIKeyWVNWMKBMIZPEFV-UHFFFAOYSA-N
MW276.23 g/mol
LogP4.53
Rot. Bonds2

About 4,4,5,5-tetramethyl-2-(1-spiro[3.5]nonan-2-ylethenyl)-1,3,2-dioxaborolane

4,4,5,5-tetramethyl-2-(1-spiro[3.5]nonan-2-ylethenyl)-1,3,2-dioxaborolane (PubChem CID 138981013) has the molecular formula C17H29BO2 and a molecular weight of 276.23 g/mol. Its IUPAC name is 4,4,5,5-tetramethyl-2-(1-spiro[3.5]nonan-2-ylethenyl)-1,3,2-dioxaborolane.

Molecular Properties

Compound Name4,4,5,5-tetramethyl-2-(1-spiro[3.5]nonan-2-ylethenyl)-1,3,2-dioxaborolane
PubChem CID138981013
Molecular FormulaC17H29BO2
Molecular Weight276.23 g/mol
Exact Mass276.23
IUPAC Name4,4,5,5-tetramethyl-2-(1-spiro[3.5]nonan-2-ylethenyl)-1,3,2-dioxaborolane
SMILESC=C(B1OC(C)(C)C(C)(C)O1)C1CC2(CCCCC2)C1
InChIInChI=1S/C17H29BO2/c1-13(18-19-15(2,3)16(4,5)20-18)14-11-17(12-14)9-7-6-8-10-17/h14H,1,6-12H2,2-5H3
InChIKeyWVNWMKBMIZPEFV-UHFFFAOYSA-N
XLogP4.53
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.23
LogP ≤ 54.53
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-(1-Cyclohexylethenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 10966489
2-[(2,2-Dimethylcyclohexylidene)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 145874631
4,4,5,5-Tetramethyl-2-({spiro[2.5]octan-6-ylidene}methyl)-1,3,2-dioxaborolane
CID 155982298
2-{[(1z)-3,3-Dimethylcyclohexylidene]methyl}-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 168447877
2-((1E)-2-Cyclohexyl-1-propen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 138979210
2-[(Z)-2-cyclohexylprop-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 102483612
2-((1s,3s)-1-Cyclohexyl-3-vinylcyclobutyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 134821151
2-[1-(3,3-Dipropylcyclobutyl)vinyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 138981016
2-[(2Z,5R)-5-cyclohexyl-5-methylhepta-2,6-dien-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 146168145
2-((1-Allylcyclohexyl)methyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 162407516
4,4,5,5-Tetramethyl-2-(spiro[3.5]nonan-2-ylmethyl)-1,3,2-dioxaborolane
CID 162409705
2-(3-(Hex-5-en-1-yl)bicyclo[1.1.1]pentan-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 164510855

Frequently Asked Questions

What is the IUPAC name of 4,4,5,5-tetramethyl-2-(1-spiro[3.5]nonan-2-ylethenyl)-1,3,2-dioxaborolane?
The IUPAC name of 4,4,5,5-tetramethyl-2-(1-spiro[3.5]nonan-2-ylethenyl)-1,3,2-dioxaborolane (CID 138981013) is 4,4,5,5-tetramethyl-2-(1-spiro[3.5]nonan-2-ylethenyl)-1,3,2-dioxaborolane.
What is the SMILES notation for 4,4,5,5-tetramethyl-2-(1-spiro[3.5]nonan-2-ylethenyl)-1,3,2-dioxaborolane?
The canonical SMILES for 4,4,5,5-tetramethyl-2-(1-spiro[3.5]nonan-2-ylethenyl)-1,3,2-dioxaborolane is C=C(B1OC(C)(C)C(C)(C)O1)C1CC2(CCCCC2)C1.
What is the InChIKey of 4,4,5,5-tetramethyl-2-(1-spiro[3.5]nonan-2-ylethenyl)-1,3,2-dioxaborolane?
The InChIKey is WVNWMKBMIZPEFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29BO2/c1-13(18-19-15(2,3)16(4,5)20-18)14-11-17(12-14)9-7-6-8-10-17/h14H,1,6-12H2,2-5H3.
What are the key properties of 4,4,5,5-tetramethyl-2-(1-spiro[3.5]nonan-2-ylethenyl)-1,3,2-dioxaborolane?
4,4,5,5-tetramethyl-2-(1-spiro[3.5]nonan-2-ylethenyl)-1,3,2-dioxaborolane has a molecular weight of 276.23 g/mol, XLogP of 4.53, 2 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-spiro[3.5]nonan-2-ylethenyl)-1,3,2-dioxaborolane is sourced from PubChem (CID 138981013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).