(4S,5S)-4,5-dicyclohexyl-2-[(Z,3S)-2-methylhex-4-en-3-yl]-1,3,2-dioxaborolane

C21H37BO2 — CID 134906451

IUPAC(4S,5S)-4,5-dicyclohexyl-2-[(Z,3S)-2-methylhex-4-en-3-yl]-1,3,2-dioxaborolane
SMILESC/C=C\[C@@H](B1O[C@@H](C2CCCCC2)[C@H](C2CCCCC2)O1)C(C)C
InChIInChI=1S/C21H37BO2/c1-4-11-19(16(2)3)22-23-20(17-12-7-5-8-13-17)21(24-22)18-14-9-6-10-15-18/h4,11,16-21H,5-10,12-15H2,1-3H3/b11-4-/t19-,20+,21+/m1/s1
InChIKeyRZZDEQYDZLANBF-JBQSNCLYSA-N
MW332.34 g/mol
LogP6.02
Rot. Bonds5

About (4S,5S)-4,5-dicyclohexyl-2-[(Z,3S)-2-methylhex-4-en-3-yl]-1,3,2-dioxaborolane

(4S,5S)-4,5-dicyclohexyl-2-[(Z,3S)-2-methylhex-4-en-3-yl]-1,3,2-dioxaborolane (PubChem CID 134906451) has the molecular formula C21H37BO2 and a molecular weight of 332.34 g/mol. Its IUPAC name is (4S,5S)-4,5-dicyclohexyl-2-[(Z,3S)-2-methylhex-4-en-3-yl]-1,3,2-dioxaborolane.

Molecular Properties

Compound Name(4S,5S)-4,5-dicyclohexyl-2-[(Z,3S)-2-methylhex-4-en-3-yl]-1,3,2-dioxaborolane
PubChem CID134906451
Molecular FormulaC21H37BO2
Molecular Weight332.34 g/mol
Exact Mass332.29
IUPAC Name(4S,5S)-4,5-dicyclohexyl-2-[(Z,3S)-2-methylhex-4-en-3-yl]-1,3,2-dioxaborolane
SMILESC/C=C\[C@@H](B1O[C@@H](C2CCCCC2)[C@H](C2CCCCC2)O1)C(C)C
InChIInChI=1S/C21H37BO2/c1-4-11-19(16(2)3)22-23-20(17-12-7-5-8-13-17)21(24-22)18-14-9-6-10-15-18/h4,11,16-21H,5-10,12-15H2,1-3H3/b11-4-/t19-,20+,21+/m1/s1
InChIKeyRZZDEQYDZLANBF-JBQSNCLYSA-N
XLogP6.02
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.34
LogP ≤ 56.02
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'}

Analyze (4S,5S)-4,5-dicyclohexyl-2-[(Z,3S)-2-methylhex-4-en-3-yl]-1,3,2-dioxaborolane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4R,5R)-4,5-dicyclohexyl-2-[(2S)-2-methyl-3-methylidenepentyl]-1,3,2-dioxaborolane
CID 10544534
(4R,5R)-4,5-dicyclohexyl-2-[(2R)-3-methylidenepentan-2-yl]-1,3,2-dioxaborolane
CID 10567537
(4S,5S)-4,5-dicyclohexyl-2-[(Z,2S)-pent-3-en-2-yl]-1,3,2-dioxaborolane
CID 10924722
(4R,5R)-4,5-dicyclohexyl-2-[(Z,2R)-pent-3-en-2-yl]-1,3,2-dioxaborolane
CID 10935585
(4S,5S)-4,5-dicyclohexyl-2-[(E,2S)-4-methyloct-3-en-2-yl]-1,3,2-dioxaborolane
CID 15083766
(4S,5S)-4,5-dicyclohexyl-2-[(Z,2S)-4-methyloct-3-en-2-yl]-1,3,2-dioxaborolane
CID 15083767
(4R,5R)-2-[(2R)-but-3-en-2-yl]-4,5-dicyclohexyl-1,3,2-dioxaborolane
CID 101514314
(4R,5R)-4,5-dicyclohexyl-2-[(Z,2S)-pent-3-en-2-yl]-1,3,2-dioxaborolane
CID 134906402
[(Z,4S)-4-[(4S,5S)-4,5-dicyclohexyl-1,3,2-dioxaborolan-2-yl]pent-2-enoxy]-triethylsilane
CID 134944787
(4R,5R)-2-[(Z)-but-2-enyl]-4,5-dicyclohexyl-1,3,2-dioxaborolane
CID 135082261
4-Pentylcyclohexyl hydrogen cyclohex-1-EN-1-ylboronate
CID 53445844
2-[4-[(E)-2-(4-ethenylcyclohexyl)ethenyl]cyclohexyl]-5-propyloxolane
CID 58555852

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-4,5-dicyclohexyl-2-[(Z,3S)-2-methylhex-4-en-3-yl]-1,3,2-dioxaborolane?
The IUPAC name of (4S,5S)-4,5-dicyclohexyl-2-[(Z,3S)-2-methylhex-4-en-3-yl]-1,3,2-dioxaborolane (CID 134906451) is (4S,5S)-4,5-dicyclohexyl-2-[(Z,3S)-2-methylhex-4-en-3-yl]-1,3,2-dioxaborolane.
What is the SMILES notation for (4S,5S)-4,5-dicyclohexyl-2-[(Z,3S)-2-methylhex-4-en-3-yl]-1,3,2-dioxaborolane?
The canonical SMILES for (4S,5S)-4,5-dicyclohexyl-2-[(Z,3S)-2-methylhex-4-en-3-yl]-1,3,2-dioxaborolane is C/C=C\[C@@H](B1O[C@@H](C2CCCCC2)[C@H](C2CCCCC2)O1)C(C)C.
What is the InChIKey of (4S,5S)-4,5-dicyclohexyl-2-[(Z,3S)-2-methylhex-4-en-3-yl]-1,3,2-dioxaborolane?
The InChIKey is RZZDEQYDZLANBF-JBQSNCLYSA-N. The full InChI is InChI=1S/C21H37BO2/c1-4-11-19(16(2)3)22-23-20(17-12-7-5-8-13-17)21(24-22)18-14-9-6-10-15-18/h4,11,16-21H,5-10,12-15H2,1-3H3/b11-4-/t19-,20+,21+/m1/s1.
What are the key properties of (4S,5S)-4,5-dicyclohexyl-2-[(Z,3S)-2-methylhex-4-en-3-yl]-1,3,2-dioxaborolane?
(4S,5S)-4,5-dicyclohexyl-2-[(Z,3S)-2-methylhex-4-en-3-yl]-1,3,2-dioxaborolane has a molecular weight of 332.34 g/mol, XLogP of 6.02, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-4,5-dicyclohexyl-2-[(Z,3S)-2-methylhex-4-en-3-yl]-1,3,2-dioxaborolane is sourced from PubChem (CID 134906451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).