(4R,5R)-2-[(1S)-1-chloropropyl]-4,5-dicyclohexyl-1,3,2-dioxaborolane

C17H30BClO2 — CID 15222423

IUPAC(4R,5R)-2-[(1S)-1-chloropropyl]-4,5-dicyclohexyl-1,3,2-dioxaborolane
SMILESCC[C@@H](Cl)B1O[C@H](C2CCCCC2)[C@@H](C2CCCCC2)O1
InChIInChI=1S/C17H30BClO2/c1-2-15(19)18-20-16(13-9-5-3-6-10-13)17(21-18)14-11-7-4-8-12-14/h13-17H,2-12H2,1H3/t15-,16-,17-/m1/s1
InChIKeyCZFFGKAAKQTMOL-BRWVUGGUSA-N
MW312.69 g/mol
LogP4.98
Rot. Bonds4

About (4R,5R)-2-[(1S)-1-chloropropyl]-4,5-dicyclohexyl-1,3,2-dioxaborolane

(4R,5R)-2-[(1S)-1-chloropropyl]-4,5-dicyclohexyl-1,3,2-dioxaborolane (PubChem CID 15222423) has the molecular formula C17H30BClO2 and a molecular weight of 312.69 g/mol. Its IUPAC name is (4R,5R)-2-[(1S)-1-chloropropyl]-4,5-dicyclohexyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name(4R,5R)-2-[(1S)-1-chloropropyl]-4,5-dicyclohexyl-1,3,2-dioxaborolane
PubChem CID15222423
Molecular FormulaC17H30BClO2
Molecular Weight312.69 g/mol
Exact Mass312.20
IUPAC Name(4R,5R)-2-[(1S)-1-chloropropyl]-4,5-dicyclohexyl-1,3,2-dioxaborolane
SMILESCC[C@@H](Cl)B1O[C@H](C2CCCCC2)[C@@H](C2CCCCC2)O1
InChIInChI=1S/C17H30BClO2/c1-2-15(19)18-20-16(13-9-5-3-6-10-13)17(21-18)14-11-7-4-8-12-14/h13-17H,2-12H2,1H3/t15-,16-,17-/m1/s1
InChIKeyCZFFGKAAKQTMOL-BRWVUGGUSA-N
XLogP4.98
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.69
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4R,5R)-4,5-dicyclohexyl-2-methyl-1,3,2-dioxaborolane
CID 10377401
(4R,5R)-4,5-dicyclohexyl-2-ethyl-1,3,2-dioxaborolane
CID 10912368
(4S,5S)-4,5-dicyclohexyl-2-methyl-1,3,2-dioxaborolane
CID 10354715
(4R,5R)-2-((1S)-1-Chloroethyl)-4,5-dicyclohexyl-1,3,2-dioxaborolane
CID 10590228
(4S,5S)-4,5-dicyclohexyl-2-(dichloromethyl)-1,3,2-dioxaborolane
CID 15083765
(4S,5S)-2-[(2S)-butan-2-yl]-4,5-dicyclohexyl-1,3,2-dioxaborolane
CID 134960507
(4R,5R)-4,5-dicyclohexyl-2-propan-2-yloxy-1,3,2-dioxaborolane
CID 135048199
(4S,5S)-2-(chloromethyl)-4,5-dicyclohexyl-1,3,2-dioxaborolane
CID 135048242
(4S,5S)-2-[(1R)-1-chloroethyl]-4,5-dicyclohexyl-1,3,2-dioxaborolane
CID 135048970
(4S)-4-chloro-4-[(4R,5R)-4,5-dicyclohexyl-1,3,2-dioxaborolan-2-yl]-2-methylbutanenitrile
CID 135082467
4,5-Dicyclohexyl-2-methyl-1,3,2-dioxaborolane
CID 18970935
2-Tert-butyl-4,5-dicyclohexyl-1,3,2-dioxaborolane
CID 20816344

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-2-[(1S)-1-chloropropyl]-4,5-dicyclohexyl-1,3,2-dioxaborolane?
The IUPAC name of (4R,5R)-2-[(1S)-1-chloropropyl]-4,5-dicyclohexyl-1,3,2-dioxaborolane (CID 15222423) is (4R,5R)-2-[(1S)-1-chloropropyl]-4,5-dicyclohexyl-1,3,2-dioxaborolane.
What is the SMILES notation for (4R,5R)-2-[(1S)-1-chloropropyl]-4,5-dicyclohexyl-1,3,2-dioxaborolane?
The canonical SMILES for (4R,5R)-2-[(1S)-1-chloropropyl]-4,5-dicyclohexyl-1,3,2-dioxaborolane is CC[C@@H](Cl)B1O[C@H](C2CCCCC2)[C@@H](C2CCCCC2)O1.
What is the InChIKey of (4R,5R)-2-[(1S)-1-chloropropyl]-4,5-dicyclohexyl-1,3,2-dioxaborolane?
The InChIKey is CZFFGKAAKQTMOL-BRWVUGGUSA-N. The full InChI is InChI=1S/C17H30BClO2/c1-2-15(19)18-20-16(13-9-5-3-6-10-13)17(21-18)14-11-7-4-8-12-14/h13-17H,2-12H2,1H3/t15-,16-,17-/m1/s1.
What are the key properties of (4R,5R)-2-[(1S)-1-chloropropyl]-4,5-dicyclohexyl-1,3,2-dioxaborolane?
(4R,5R)-2-[(1S)-1-chloropropyl]-4,5-dicyclohexyl-1,3,2-dioxaborolane has a molecular weight of 312.69 g/mol, XLogP of 4.98, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-2-[(1S)-1-chloropropyl]-4,5-dicyclohexyl-1,3,2-dioxaborolane is sourced from PubChem (CID 15222423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).