2-[(2R,5E)-6,10-dimethylundeca-5,9-dien-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C19H35BO2 — CID 59052617

IUPAC2-[(2R,5E)-6,10-dimethylundeca-5,9-dien-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC(C)=CCC/C(C)=C/CC[C@@H](C)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C19H35BO2/c1-15(2)11-9-12-16(3)13-10-14-17(4)20-21-18(5,6)19(7,8)22-20/h11,13,17H,9-10,12,14H2,1-8H3/b16-13+/t17-/m1/s1
InChIKeyDYIZCXBXSHEIHG-HJUDDPQBSA-N
MW306.30 g/mol
LogP5.94
Rot. Bonds7

About 2-[(2R,5E)-6,10-dimethylundeca-5,9-dien-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-[(2R,5E)-6,10-dimethylundeca-5,9-dien-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 59052617) has the molecular formula C19H35BO2 and a molecular weight of 306.30 g/mol. Its IUPAC name is 2-[(2R,5E)-6,10-dimethylundeca-5,9-dien-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-[(2R,5E)-6,10-dimethylundeca-5,9-dien-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID59052617
Molecular FormulaC19H35BO2
Molecular Weight306.30 g/mol
Exact Mass306.27
IUPAC Name2-[(2R,5E)-6,10-dimethylundeca-5,9-dien-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC(C)=CCC/C(C)=C/CC[C@@H](C)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C19H35BO2/c1-15(2)11-9-12-16(3)13-10-14-17(4)20-21-18(5,6)19(7,8)22-20/h11,13,17H,9-10,12,14H2,1-8H3/b16-13+/t17-/m1/s1
InChIKeyDYIZCXBXSHEIHG-HJUDDPQBSA-N
XLogP5.94
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.30
LogP ≤ 55.94
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'}

Analyze 2-[(2R,5E)-6,10-dimethylundeca-5,9-dien-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane with MolForge

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Related Compounds

2-(Cyclopent-1-en-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 15486611
2-(Cyclohex-1-en-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 10932675
1-Cycloheptenylboronic acid pinacol ester
CID 15486609
4,4,5,5-tetramethyl-2-((2Z)-pent-2-en-3-yl)-1,3,2-dioxaborolane
CID 58548511
(Z)-4,4,5,5-tetramethyl-2-(oct-4-en-4-yl)-1,3,2-dioxaborolane
CID 11264894
4,4,5,5-tetramethyl-2-[(E)-pent-3-en-2-yl]-1,3,2-dioxaborolane
CID 21771552
2-[(Z)-dodec-6-en-6-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 149059896
Agn-PC-009zql
CID 11482352
(Z)-2-(hex-3-en-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 10943741
2-Cyclohex-2-en-1-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 11252761
2-(2-Cyclopenten-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 15486612
2-[(E)-hex-2-en-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 15748687

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,5E)-6,10-dimethylundeca-5,9-dien-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-[(2R,5E)-6,10-dimethylundeca-5,9-dien-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 59052617) is 2-[(2R,5E)-6,10-dimethylundeca-5,9-dien-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-[(2R,5E)-6,10-dimethylundeca-5,9-dien-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-[(2R,5E)-6,10-dimethylundeca-5,9-dien-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CC(C)=CCC/C(C)=C/CC[C@@H](C)B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of 2-[(2R,5E)-6,10-dimethylundeca-5,9-dien-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is DYIZCXBXSHEIHG-HJUDDPQBSA-N. The full InChI is InChI=1S/C19H35BO2/c1-15(2)11-9-12-16(3)13-10-14-17(4)20-21-18(5,6)19(7,8)22-20/h11,13,17H,9-10,12,14H2,1-8H3/b16-13+/t17-/m1/s1.
What are the key properties of 2-[(2R,5E)-6,10-dimethylundeca-5,9-dien-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-[(2R,5E)-6,10-dimethylundeca-5,9-dien-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 306.30 g/mol, XLogP of 5.94, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,5E)-6,10-dimethylundeca-5,9-dien-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 59052617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).