2-(10-bromodeca-2,3-dien-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C16H28BBrO2 — CID 166442552

IUPAC2-(10-bromodeca-2,3-dien-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC=C=C(CCCCCCBr)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C16H28BBrO2/c1-6-11-14(12-9-7-8-10-13-18)17-19-15(2,3)16(4,5)20-17/h6H,7-10,12-13H2,1-5H3
InChIKeyYGDNSPBNFDCLHP-UHFFFAOYSA-N
MW343.11 g/mol
LogP5.06
Rot. Bonds7

About 2-(10-bromodeca-2,3-dien-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-(10-bromodeca-2,3-dien-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 166442552) has the molecular formula C16H28BBrO2 and a molecular weight of 343.11 g/mol. Its IUPAC name is 2-(10-bromodeca-2,3-dien-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-(10-bromodeca-2,3-dien-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID166442552
Molecular FormulaC16H28BBrO2
Molecular Weight343.11 g/mol
Exact Mass342.14
IUPAC Name2-(10-bromodeca-2,3-dien-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC=C=C(CCCCCCBr)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C16H28BBrO2/c1-6-11-14(12-9-7-8-10-13-18)17-19-15(2,3)16(4,5)20-17/h6H,7-10,12-13H2,1-5H3
InChIKeyYGDNSPBNFDCLHP-UHFFFAOYSA-N
XLogP5.06
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.11
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(Z)-1-bromo-5-methylideneundec-3-en-4-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 134979397
2-(5-bromopentyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 57431235
2-[(E)-5-bromopent-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 167722175
4,4,5,5-tetramethyl-2-[(Z)-2-methyldodec-1-enyl]-1,3,2-dioxaborolane
CID 100969381
2-(4-bromobutoxy)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 15531801
4,4,5,5-tetramethyl-2-pent-2-en-3-yl-1,3,2-dioxaborolane
CID 76819365
methyl (Z)-10-fluoro-10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dec-9-enoate
CID 162624154
[(E)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oct-6-enyl] undec-10-enoate
CID 140735216
2-[4-(5-bromopentyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 167995454
4,4,5,5-tetramethyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-enyl]-1,3,2-dioxaborolane
CID 134904577
2-(3-bromoprop-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 71332875
4,4,5,5-tetramethyl-2-[(Z)-1-phenyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dec-1-en-2-yl]-1,3,2-dioxaborolane
CID 134904589

Frequently Asked Questions

What is the IUPAC name of 2-(10-bromodeca-2,3-dien-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-(10-bromodeca-2,3-dien-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 166442552) is 2-(10-bromodeca-2,3-dien-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-(10-bromodeca-2,3-dien-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-(10-bromodeca-2,3-dien-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CC=C=C(CCCCCCBr)B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of 2-(10-bromodeca-2,3-dien-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is YGDNSPBNFDCLHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28BBrO2/c1-6-11-14(12-9-7-8-10-13-18)17-19-15(2,3)16(4,5)20-17/h6H,7-10,12-13H2,1-5H3.
What are the key properties of 2-(10-bromodeca-2,3-dien-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-(10-bromodeca-2,3-dien-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 343.11 g/mol, XLogP of 5.06, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(10-bromodeca-2,3-dien-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 166442552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).