2-cyclooct-2-en-1-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C14H25BO2 — CID 90890590

IUPAC2-cyclooct-2-en-1-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OB(C2C=CCCCCC2)OC1(C)C
InChIInChI=1S/C14H25BO2/c1-13(2)14(3,4)17-15(16-13)12-10-8-6-5-7-9-11-12/h8,10,12H,5-7,9,11H2,1-4H3
InChIKeyAJMBFHHAWMVYSU-UHFFFAOYSA-N
MW236.16 g/mol
LogP3.97
Rot. Bonds1

About 2-cyclooct-2-en-1-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-cyclooct-2-en-1-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 90890590) has the molecular formula C14H25BO2 and a molecular weight of 236.16 g/mol. Its IUPAC name is 2-cyclooct-2-en-1-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-cyclooct-2-en-1-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID90890590
Molecular FormulaC14H25BO2
Molecular Weight236.16 g/mol
Exact Mass236.19
IUPAC Name2-cyclooct-2-en-1-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OB(C2C=CCCCCC2)OC1(C)C
InChIInChI=1S/C14H25BO2/c1-13(2)14(3,4)17-15(16-13)12-10-8-6-5-7-9-11-12/h8,10,12H,5-7,9,11H2,1-4H3
InChIKeyAJMBFHHAWMVYSU-UHFFFAOYSA-N
XLogP3.97
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.16
LogP ≤ 53.97
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

(1Z)-3-methylcyclooctene
CID 5352586
(1E)-3-methylcyclodecene
CID 5352563
3-methylcycloundecene
CID 54531806
(1Z)-3-methylcyclodecene
CID 6430931
(1Z)-3-methylcyclopentadecene
CID 140520640
4,4,5,5-tetramethyl-2-[(1S,2R)-2-methylcyclopentyl]-1,3,2-dioxaborolane
CID 101198944
2-cyclohexyloxy-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 11984021
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydropyridine
CID 141444392
(2R)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)piperidine
CID 99774006
(1Z)-3-ethylcyclooctene
CID 12870206
2-(cyclohepten-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 15486609
9-methylcyclopentadecene
CID 154291341

Frequently Asked Questions

What is the IUPAC name of 2-cyclooct-2-en-1-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-cyclooct-2-en-1-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 90890590) is 2-cyclooct-2-en-1-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-cyclooct-2-en-1-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-cyclooct-2-en-1-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CC1(C)OB(C2C=CCCCCC2)OC1(C)C.
What is the InChIKey of 2-cyclooct-2-en-1-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is AJMBFHHAWMVYSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25BO2/c1-13(2)14(3,4)17-15(16-13)12-10-8-6-5-7-9-11-12/h8,10,12H,5-7,9,11H2,1-4H3.
What are the key properties of 2-cyclooct-2-en-1-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-cyclooct-2-en-1-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 236.16 g/mol, XLogP of 3.97, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclooct-2-en-1-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 90890590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).