2-[(Z)-dodec-1-enyl]-1,3,2-dioxaborolane

C14H27BO2 — CID 10082894

IUPAC2-[(Z)-dodec-1-enyl]-1,3,2-dioxaborolane
SMILESCCCCCCCCCC/C=C\B1OCCO1
InChIInChI=1S/C14H27BO2/c1-2-3-4-5-6-7-8-9-10-11-12-15-16-13-14-17-15/h11-12H,2-10,13-14H2,1H3/b12-11-
InChIKeyFYKRJMWAGYXETM-QXMHVHEDSA-N
MW238.18 g/mol
LogP4.15
Rot. Bonds10

About 2-[(Z)-dodec-1-enyl]-1,3,2-dioxaborolane

2-[(Z)-dodec-1-enyl]-1,3,2-dioxaborolane (PubChem CID 10082894) has the molecular formula C14H27BO2 and a molecular weight of 238.18 g/mol. Its IUPAC name is 2-[(Z)-dodec-1-enyl]-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-[(Z)-dodec-1-enyl]-1,3,2-dioxaborolane
PubChem CID10082894
Molecular FormulaC14H27BO2
Molecular Weight238.18 g/mol
Exact Mass238.21
IUPAC Name2-[(Z)-dodec-1-enyl]-1,3,2-dioxaborolane
SMILESCCCCCCCCCC/C=C\B1OCCO1
InChIInChI=1S/C14H27BO2/c1-2-3-4-5-6-7-8-9-10-11-12-15-16-13-14-17-15/h11-12H,2-10,13-14H2,1H3/b12-11-
InChIKeyFYKRJMWAGYXETM-QXMHVHEDSA-N
XLogP4.15
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.18
LogP ≤ 54.15
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

4,4,5,5-tetramethyl-2-non-1-enyl-1,3,2-dioxaborolane
CID 86013616
triacont-12-ene
CID 54535715
(Z)-octadec-6-ene
CID 5352239
(E)-hexadec-6-ene
CID 5352260
(Z)-docos-9-ene
CID 11690102
(E)-hexacos-10-ene
CID 22172169
(E)-nonacos-10-ene
CID 14367300
tetratriacont-8-ene
CID 123670593
(E)-icos-10-ene
CID 10468895
heptatriacont-13-ene
CID 71378710
(E)-docos-6-ene
CID 22172020
(24Z)-hexatriaconta-9,24-diene
CID 173127472

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-dodec-1-enyl]-1,3,2-dioxaborolane?
The IUPAC name of 2-[(Z)-dodec-1-enyl]-1,3,2-dioxaborolane (CID 10082894) is 2-[(Z)-dodec-1-enyl]-1,3,2-dioxaborolane.
What is the SMILES notation for 2-[(Z)-dodec-1-enyl]-1,3,2-dioxaborolane?
The canonical SMILES for 2-[(Z)-dodec-1-enyl]-1,3,2-dioxaborolane is CCCCCCCCCC/C=C\B1OCCO1.
What is the InChIKey of 2-[(Z)-dodec-1-enyl]-1,3,2-dioxaborolane?
The InChIKey is FYKRJMWAGYXETM-QXMHVHEDSA-N. The full InChI is InChI=1S/C14H27BO2/c1-2-3-4-5-6-7-8-9-10-11-12-15-16-13-14-17-15/h11-12H,2-10,13-14H2,1H3/b12-11-.
What are the key properties of 2-[(Z)-dodec-1-enyl]-1,3,2-dioxaborolane?
2-[(Z)-dodec-1-enyl]-1,3,2-dioxaborolane has a molecular weight of 238.18 g/mol, XLogP of 4.15, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-dodec-1-enyl]-1,3,2-dioxaborolane is sourced from PubChem (CID 10082894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).