(4R,5R)-4,5-dicyclohexyl-2-[(2R)-3-methylidenepentan-2-yl]-1,3,2-dioxaborolane

C20H35BO2 — CID 10567537

IUPAC(4R,5R)-4,5-dicyclohexyl-2-[(2R)-3-methylidenepentan-2-yl]-1,3,2-dioxaborolane
SMILESC=C(CC)[C@@H](C)B1O[C@H](C2CCCCC2)[C@@H](C2CCCCC2)O1
InChIInChI=1S/C20H35BO2/c1-4-15(2)16(3)21-22-19(17-11-7-5-8-12-17)20(23-21)18-13-9-6-10-14-18/h16-20H,2,4-14H2,1,3H3/t16-,19-,20-/m1/s1
InChIKeyFJOIHQIZODUDJC-NSISKUIASA-N
MW318.31 g/mol
LogP5.78
Rot. Bonds5

About (4R,5R)-4,5-dicyclohexyl-2-[(2R)-3-methylidenepentan-2-yl]-1,3,2-dioxaborolane

(4R,5R)-4,5-dicyclohexyl-2-[(2R)-3-methylidenepentan-2-yl]-1,3,2-dioxaborolane (PubChem CID 10567537) has the molecular formula C20H35BO2 and a molecular weight of 318.31 g/mol. Its IUPAC name is (4R,5R)-4,5-dicyclohexyl-2-[(2R)-3-methylidenepentan-2-yl]-1,3,2-dioxaborolane.

Molecular Properties

Compound Name(4R,5R)-4,5-dicyclohexyl-2-[(2R)-3-methylidenepentan-2-yl]-1,3,2-dioxaborolane
PubChem CID10567537
Molecular FormulaC20H35BO2
Molecular Weight318.31 g/mol
Exact Mass318.27
IUPAC Name(4R,5R)-4,5-dicyclohexyl-2-[(2R)-3-methylidenepentan-2-yl]-1,3,2-dioxaborolane
SMILESC=C(CC)[C@@H](C)B1O[C@H](C2CCCCC2)[C@@H](C2CCCCC2)O1
InChIInChI=1S/C20H35BO2/c1-4-15(2)16(3)21-22-19(17-11-7-5-8-12-17)20(23-21)18-13-9-6-10-14-18/h16-20H,2,4-14H2,1,3H3/t16-,19-,20-/m1/s1
InChIKeyFJOIHQIZODUDJC-NSISKUIASA-N
XLogP5.78
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.31
LogP ≤ 55.78
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 (4R,5R)-4,5-dicyclohexyl-2-[(2R)-3-methylidenepentan-2-yl]-1,3,2-dioxaborolane with MolForge

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Launch Full Analysis

Related Compounds

(4R,5R)-4,5-dicyclohexyl-2-[(2S)-2-methyl-3-methylidenepentyl]-1,3,2-dioxaborolane
CID 10544534
(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-[(1S,3S)-1-chloro-3-methyl-4-methylidenehexyl]-4,5-dicyclohexyl-1,3,2-dioxaborolane
CID 15378488
(4R,5R)-2-[(2R)-but-3-en-2-yl]-4,5-dicyclohexyl-1,3,2-dioxaborolane
CID 101514314
trans-(4R,5R)-2-(chloromethyl)-4,5-dicyclohexyl-2-[(2R)-3-methylidenepentan-2-yl]-1,3-dioxa-2-boranuidacyclopentane
CID 134840991
(4R,5R)-4,5-dicyclohexyl-2-[(Z,2S)-pent-3-en-2-yl]-1,3,2-dioxaborolane
CID 134906402
(4S,5S)-4,5-dicyclohexyl-2-[(Z,3S)-2-methylhex-4-en-3-yl]-1,3,2-dioxaborolane
CID 134906451
(4S,5S)-2-[(2S)-butan-2-yl]-4,5-dicyclohexyl-1,3,2-dioxaborolane
CID 134960507
(4R,5R)-2-[(Z)-but-2-enyl]-4,5-dicyclohexyl-1,3,2-dioxaborolane
CID 135082261

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-4,5-dicyclohexyl-2-[(2R)-3-methylidenepentan-2-yl]-1,3,2-dioxaborolane?
The IUPAC name of (4R,5R)-4,5-dicyclohexyl-2-[(2R)-3-methylidenepentan-2-yl]-1,3,2-dioxaborolane (CID 10567537) is (4R,5R)-4,5-dicyclohexyl-2-[(2R)-3-methylidenepentan-2-yl]-1,3,2-dioxaborolane.
What is the SMILES notation for (4R,5R)-4,5-dicyclohexyl-2-[(2R)-3-methylidenepentan-2-yl]-1,3,2-dioxaborolane?
The canonical SMILES for (4R,5R)-4,5-dicyclohexyl-2-[(2R)-3-methylidenepentan-2-yl]-1,3,2-dioxaborolane is C=C(CC)[C@@H](C)B1O[C@H](C2CCCCC2)[C@@H](C2CCCCC2)O1.
What is the InChIKey of (4R,5R)-4,5-dicyclohexyl-2-[(2R)-3-methylidenepentan-2-yl]-1,3,2-dioxaborolane?
The InChIKey is FJOIHQIZODUDJC-NSISKUIASA-N. The full InChI is InChI=1S/C20H35BO2/c1-4-15(2)16(3)21-22-19(17-11-7-5-8-12-17)20(23-21)18-13-9-6-10-14-18/h16-20H,2,4-14H2,1,3H3/t16-,19-,20-/m1/s1.
What are the key properties of (4R,5R)-4,5-dicyclohexyl-2-[(2R)-3-methylidenepentan-2-yl]-1,3,2-dioxaborolane?
(4R,5R)-4,5-dicyclohexyl-2-[(2R)-3-methylidenepentan-2-yl]-1,3,2-dioxaborolane has a molecular weight of 318.31 g/mol, XLogP of 5.78, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-4,5-dicyclohexyl-2-[(2R)-3-methylidenepentan-2-yl]-1,3,2-dioxaborolane is sourced from PubChem (CID 10567537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).