2-[(Z)-2,2-dimethyldec-3-en-4-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C18H35BO2 — CID 135008850

IUPAC2-[(Z)-2,2-dimethyldec-3-en-4-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCCCCCC/C(=C\C(C)(C)C)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C18H35BO2/c1-9-10-11-12-13-15(14-16(2,3)4)19-20-17(5,6)18(7,8)21-19/h14H,9-13H2,1-8H3/b15-14+
InChIKeyZPRXMZDSURLBQE-CCEZHUSRSA-N
MW294.29 g/mol
LogP5.56
Rot. Bonds6

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

2-[(Z)-2,2-dimethyldec-3-en-4-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 135008850) has the molecular formula C18H35BO2 and a molecular weight of 294.29 g/mol. Its IUPAC name is 2-[(Z)-2,2-dimethyldec-3-en-4-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-[(Z)-2,2-dimethyldec-3-en-4-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID135008850
Molecular FormulaC18H35BO2
Molecular Weight294.29 g/mol
Exact Mass294.27
IUPAC Name2-[(Z)-2,2-dimethyldec-3-en-4-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCCCCCC/C(=C\C(C)(C)C)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C18H35BO2/c1-9-10-11-12-13-15(14-16(2,3)4)19-20-17(5,6)18(7,8)21-19/h14H,9-13H2,1-8H3/b15-14+
InChIKeyZPRXMZDSURLBQE-CCEZHUSRSA-N
XLogP5.56
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.29
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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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
2-(4-tert-Butylcyclohex-1-en-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 15486605
2-(4,4-Dimethylcyclohex-1-en-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 23142013
2-(5,5-Dimethylcyclohex-1-en-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 72221108
(Z)-4,4,5,5-tetramethyl-2-(oct-4-en-4-yl)-1,3,2-dioxaborolane
CID 11264894
2-[(Z)-dodec-6-en-6-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 149059896
2-Cyclohex-2-en-1-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 11252761
2-Cyclohept-2-en-1-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 15486610
2-[(E)-hex-2-en-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 15748687
2-(1-Cycloocten-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 46179848

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-2,2-dimethyldec-3-en-4-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-[(Z)-2,2-dimethyldec-3-en-4-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 135008850) is 2-[(Z)-2,2-dimethyldec-3-en-4-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-[(Z)-2,2-dimethyldec-3-en-4-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-[(Z)-2,2-dimethyldec-3-en-4-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CCCCCC/C(=C\C(C)(C)C)B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of 2-[(Z)-2,2-dimethyldec-3-en-4-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is ZPRXMZDSURLBQE-CCEZHUSRSA-N. The full InChI is InChI=1S/C18H35BO2/c1-9-10-11-12-13-15(14-16(2,3)4)19-20-17(5,6)18(7,8)21-19/h14H,9-13H2,1-8H3/b15-14+.
What are the key properties of 2-[(Z)-2,2-dimethyldec-3-en-4-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-[(Z)-2,2-dimethyldec-3-en-4-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 294.29 g/mol, XLogP of 5.56, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-2,2-dimethyldec-3-en-4-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 135008850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).