4,4,5,5-tetramethyl-2-[(2R,3R)-3-phenylpent-4-en-2-yl]-1,3,2-dioxaborolane

C17H25BO2 — CID 177451955

IUPAC4,4,5,5-tetramethyl-2-[(2R,3R)-3-phenylpent-4-en-2-yl]-1,3,2-dioxaborolane
SMILESC=C[C@H](c1ccccc1)[C@@H](C)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C17H25BO2/c1-7-15(14-11-9-8-10-12-14)13(2)18-19-16(3,4)17(5,6)20-18/h7-13,15H,1H2,2-6H3/t13-,15+/m1/s1
InChIKeySEVZYKNXPKYVCM-HIFRSBDPSA-N
MW272.20 g/mol
LogP4.44
Rot. Bonds4

About 4,4,5,5-tetramethyl-2-[(2R,3R)-3-phenylpent-4-en-2-yl]-1,3,2-dioxaborolane

4,4,5,5-tetramethyl-2-[(2R,3R)-3-phenylpent-4-en-2-yl]-1,3,2-dioxaborolane (PubChem CID 177451955) has the molecular formula C17H25BO2 and a molecular weight of 272.20 g/mol. Its IUPAC name is 4,4,5,5-tetramethyl-2-[(2R,3R)-3-phenylpent-4-en-2-yl]-1,3,2-dioxaborolane.

Molecular Properties

Compound Name4,4,5,5-tetramethyl-2-[(2R,3R)-3-phenylpent-4-en-2-yl]-1,3,2-dioxaborolane
PubChem CID177451955
Molecular FormulaC17H25BO2
Molecular Weight272.20 g/mol
Exact Mass272.19
IUPAC Name4,4,5,5-tetramethyl-2-[(2R,3R)-3-phenylpent-4-en-2-yl]-1,3,2-dioxaborolane
SMILESC=C[C@H](c1ccccc1)[C@@H](C)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C17H25BO2/c1-7-15(14-11-9-8-10-12-14)13(2)18-19-16(3,4)17(5,6)20-18/h7-13,15H,1H2,2-6H3/t13-,15+/m1/s1
InChIKeySEVZYKNXPKYVCM-HIFRSBDPSA-N
XLogP4.44
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.20
LogP ≤ 54.44
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

[(1R,2S)-1-ethenyl-2-phenylbut-3-enyl]benzene
CID 12573330
2-[(1R,2R)-1-(4-methoxyphenyl)-1-phenylpropan-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 102503580
4,4,5,5-tetramethyl-2-[(1R)-1-phenyl-2,2-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]-1,3,2-dioxaborolane
CID 139203595
4,4,5,5-tetramethyl-2-[(1R)-1-(4-phenylphenyl)ethyl]-1,3,2-dioxaborolane
CID 171477870
4,4,5,5-tetramethyl-2-[(3R)-5-phenylpent-1-en-3-yl]-1,3,2-dioxaborolane
CID 102582096
4,4,5,5-tetramethyl-2-[(2-methylphenyl)-phenylmethyl]-1,3,2-dioxaborolane
CID 162398084
2-(3-ethenylhexan-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 132601552
2-[(2S)-but-3-en-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 74787913
(2S)-2-methyl-3-phenylpent-4-enoic acid
CID 70506498
4,4,5,5-tetramethyl-2-(3-methyl-1-phenylbutan-2-yl)-1,3,2-dioxaborolane
CID 102424463
2-[(1S,2S)-2-deuterio-1-phenylpropyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 139254233
4-[phenyl-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]-2,6-di(propan-2-yl)phenol
CID 122381145

Frequently Asked Questions

What is the IUPAC name of 4,4,5,5-tetramethyl-2-[(2R,3R)-3-phenylpent-4-en-2-yl]-1,3,2-dioxaborolane?
The IUPAC name of 4,4,5,5-tetramethyl-2-[(2R,3R)-3-phenylpent-4-en-2-yl]-1,3,2-dioxaborolane (CID 177451955) is 4,4,5,5-tetramethyl-2-[(2R,3R)-3-phenylpent-4-en-2-yl]-1,3,2-dioxaborolane.
What is the SMILES notation for 4,4,5,5-tetramethyl-2-[(2R,3R)-3-phenylpent-4-en-2-yl]-1,3,2-dioxaborolane?
The canonical SMILES for 4,4,5,5-tetramethyl-2-[(2R,3R)-3-phenylpent-4-en-2-yl]-1,3,2-dioxaborolane is C=C[C@H](c1ccccc1)[C@@H](C)B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of 4,4,5,5-tetramethyl-2-[(2R,3R)-3-phenylpent-4-en-2-yl]-1,3,2-dioxaborolane?
The InChIKey is SEVZYKNXPKYVCM-HIFRSBDPSA-N. The full InChI is InChI=1S/C17H25BO2/c1-7-15(14-11-9-8-10-12-14)13(2)18-19-16(3,4)17(5,6)20-18/h7-13,15H,1H2,2-6H3/t13-,15+/m1/s1.
What are the key properties of 4,4,5,5-tetramethyl-2-[(2R,3R)-3-phenylpent-4-en-2-yl]-1,3,2-dioxaborolane?
4,4,5,5-tetramethyl-2-[(2R,3R)-3-phenylpent-4-en-2-yl]-1,3,2-dioxaborolane has a molecular weight of 272.20 g/mol, XLogP of 4.44, 4 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-[(2R,3R)-3-phenylpent-4-en-2-yl]-1,3,2-dioxaborolane is sourced from PubChem (CID 177451955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).