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

C16H29BO2 — CID 135053484

IUPAC2-[(Z)-1-cyclohexylbut-1-en-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC/C(=C\C1CCCCC1)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C16H29BO2/c1-6-14(12-13-10-8-7-9-11-13)17-18-15(2,3)16(4,5)19-17/h12-13H,6-11H2,1-5H3/b14-12+
InChIKeyRPTKSSPGYYRLPQ-WYMLVPIESA-N
MW264.22 g/mol
LogP4.53
Rot. Bonds3

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

2-[(Z)-1-cyclohexylbut-1-en-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 135053484) has the molecular formula C16H29BO2 and a molecular weight of 264.22 g/mol. Its IUPAC name is 2-[(Z)-1-cyclohexylbut-1-en-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-[(Z)-1-cyclohexylbut-1-en-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID135053484
Molecular FormulaC16H29BO2
Molecular Weight264.22 g/mol
Exact Mass264.23
IUPAC Name2-[(Z)-1-cyclohexylbut-1-en-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC/C(=C\C1CCCCC1)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C16H29BO2/c1-6-14(12-13-10-8-7-9-11-13)17-18-15(2,3)16(4,5)19-17/h12-13H,6-11H2,1-5H3/b14-12+
InChIKeyRPTKSSPGYYRLPQ-WYMLVPIESA-N
XLogP4.53
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.22
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-2-(2-cyclohexylvinyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 12066515
2-(Cyclohex-1-en-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 10932675
2-(1-Cyclohexylethenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 10966489
1-Cycloheptenylboronic acid pinacol ester
CID 15486609
4,4,5,5-Tetramethyl-2-(4-methylcyclohex-1-en-1-yl)-1,3,2-dioxaborolane
CID 58924635
4,4,5,5-Tetramethyl-2-[4-(trifluoromethyl)-1-cyclohexen-1-yl]-1,3,2-dioxaborolane
CID 11565340
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
4,4,5,5-Tetramethyl-2-[4-(propan-2-yl)cyclohex-1-en-1-yl]-1,3,2-dioxaborolane
CID 74788596
2-{Bicyclo[2.2.1]hept-2-en-2-yl}-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 118798230
2-{Bicyclo[3.1.0]hex-2-en-3-yl}-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 138039625

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-1-cyclohexylbut-1-en-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-[(Z)-1-cyclohexylbut-1-en-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 135053484) is 2-[(Z)-1-cyclohexylbut-1-en-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-[(Z)-1-cyclohexylbut-1-en-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-[(Z)-1-cyclohexylbut-1-en-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CC/C(=C\C1CCCCC1)B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of 2-[(Z)-1-cyclohexylbut-1-en-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is RPTKSSPGYYRLPQ-WYMLVPIESA-N. The full InChI is InChI=1S/C16H29BO2/c1-6-14(12-13-10-8-7-9-11-13)17-18-15(2,3)16(4,5)19-17/h12-13H,6-11H2,1-5H3/b14-12+.
What are the key properties of 2-[(Z)-1-cyclohexylbut-1-en-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-[(Z)-1-cyclohexylbut-1-en-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 264.22 g/mol, XLogP of 4.53, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-1-cyclohexylbut-1-en-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 135053484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).