2-(2-cyclododecylideneethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C20H37BO2 — CID 132522713

IUPAC2-(2-cyclododecylideneethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OB(CC=C2CCCCCCCCCCC2)OC1(C)C
InChIInChI=1S/C20H37BO2/c1-19(2)20(3,4)23-21(22-19)17-16-18-14-12-10-8-6-5-7-9-11-13-15-18/h16H,5-15,17H2,1-4H3
InChIKeyUUEBGQRQPWMMPJ-UHFFFAOYSA-N
MW320.33 g/mol
LogP6.31
Rot. Bonds2

About 2-(2-cyclododecylideneethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-(2-cyclododecylideneethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 132522713) has the molecular formula C20H37BO2 and a molecular weight of 320.33 g/mol. Its IUPAC name is 2-(2-cyclododecylideneethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-(2-cyclododecylideneethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID132522713
Molecular FormulaC20H37BO2
Molecular Weight320.33 g/mol
Exact Mass320.29
IUPAC Name2-(2-cyclododecylideneethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OB(CC=C2CCCCCCCCCCC2)OC1(C)C
InChIInChI=1S/C20H37BO2/c1-19(2)20(3,4)23-21(22-19)17-16-18-14-12-10-8-6-5-7-9-11-13-15-18/h16H,5-15,17H2,1-4H3
InChIKeyUUEBGQRQPWMMPJ-UHFFFAOYSA-N
XLogP6.31
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.33
LogP ≤ 56.31
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

2-(Cyclohex-1-en-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 10932675
1-Cycloheptenylboronic acid pinacol ester
CID 15486609
(E)-2-(2-(cyclohex-1-en-1-yl)vinyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 11310851
2-[(Z)-dodec-6-en-6-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 149059896
2-(Cyclododecylidenemethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 154832112
Agn-PC-009zql
CID 11482352
2-Cyclohept-2-en-1-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 15486610
2-(1-Cycloocten-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 46179848
2-[(2E)-3,7-Dimethylocta-2,6-dien-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 57416217
2-[(E)-hept-2-en-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 66886420
2-[(1Z)-cyclododecen-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 71463717
2-[(E)-dec-5-en-5-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 140735208

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclododecylideneethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-(2-cyclododecylideneethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 132522713) is 2-(2-cyclododecylideneethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-(2-cyclododecylideneethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-(2-cyclododecylideneethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CC1(C)OB(CC=C2CCCCCCCCCCC2)OC1(C)C.
What is the InChIKey of 2-(2-cyclododecylideneethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is UUEBGQRQPWMMPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37BO2/c1-19(2)20(3,4)23-21(22-19)17-16-18-14-12-10-8-6-5-7-9-11-13-15-18/h16H,5-15,17H2,1-4H3.
What are the key properties of 2-(2-cyclododecylideneethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-(2-cyclododecylideneethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 320.33 g/mol, XLogP of 6.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclododecylideneethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 132522713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).