dicyclohexyl-[(1R)-1-(2-methylcyclopentyl)ethyl]phosphane

C20H37P — CID 58582958

IUPACdicyclohexyl-[(1R)-1-(2-methylcyclopentyl)ethyl]phosphane
SMILESCC1CCCC1[C@@H](C)P(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C20H37P/c1-16-10-9-15-20(16)17(2)21(18-11-5-3-6-12-18)19-13-7-4-8-14-19/h16-20H,3-15H2,1-2H3/t16?,17-,20?/m1/s1
InChIKeyBLACNIVUCLNGIU-OHTSDLOESA-N
MW308.49 g/mol
LogP6.96
Rot. Bonds4

About dicyclohexyl-[(1R)-1-(2-methylcyclopentyl)ethyl]phosphane

dicyclohexyl-[(1R)-1-(2-methylcyclopentyl)ethyl]phosphane (PubChem CID 58582958) has the molecular formula C20H37P and a molecular weight of 308.49 g/mol. Its IUPAC name is dicyclohexyl-[(1R)-1-(2-methylcyclopentyl)ethyl]phosphane.

Molecular Properties

Compound Namedicyclohexyl-[(1R)-1-(2-methylcyclopentyl)ethyl]phosphane
PubChem CID58582958
Molecular FormulaC20H37P
Molecular Weight308.49 g/mol
Exact Mass308.26
IUPAC Namedicyclohexyl-[(1R)-1-(2-methylcyclopentyl)ethyl]phosphane
SMILESCC1CCCC1[C@@H](C)P(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C20H37P/c1-16-10-9-15-20(16)17(2)21(18-11-5-3-6-12-18)19-13-7-4-8-14-19/h16-20H,3-15H2,1-2H3/t16?,17-,20?/m1/s1
InChIKeyBLACNIVUCLNGIU-OHTSDLOESA-N
XLogP6.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.49
LogP ≤ 56.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dicyclohexyl-[(1R)-1-(2-methylcyclopentyl)ethyl]phosphane?
The IUPAC name of dicyclohexyl-[(1R)-1-(2-methylcyclopentyl)ethyl]phosphane (CID 58582958) is dicyclohexyl-[(1R)-1-(2-methylcyclopentyl)ethyl]phosphane.
What is the SMILES notation for dicyclohexyl-[(1R)-1-(2-methylcyclopentyl)ethyl]phosphane?
The canonical SMILES for dicyclohexyl-[(1R)-1-(2-methylcyclopentyl)ethyl]phosphane is CC1CCCC1[C@@H](C)P(C1CCCCC1)C1CCCCC1.
What is the InChIKey of dicyclohexyl-[(1R)-1-(2-methylcyclopentyl)ethyl]phosphane?
The InChIKey is BLACNIVUCLNGIU-OHTSDLOESA-N. The full InChI is InChI=1S/C20H37P/c1-16-10-9-15-20(16)17(2)21(18-11-5-3-6-12-18)19-13-7-4-8-14-19/h16-20H,3-15H2,1-2H3/t16?,17-,20?/m1/s1.
What are the key properties of dicyclohexyl-[(1R)-1-(2-methylcyclopentyl)ethyl]phosphane?
dicyclohexyl-[(1R)-1-(2-methylcyclopentyl)ethyl]phosphane has a molecular weight of 308.49 g/mol, XLogP of 6.96, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dicyclohexyl-[(1R)-1-(2-methylcyclopentyl)ethyl]phosphane is sourced from PubChem (CID 58582958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).