(2,2-dicyclohexyl-1-phenylethyl)phosphane

C20H31P — CID 91484013

IUPAC(2,2-dicyclohexyl-1-phenylethyl)phosphane
SMILESPC(c1ccccc1)C(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C20H31P/c21-20(18-14-8-3-9-15-18)19(16-10-4-1-5-11-16)17-12-6-2-7-13-17/h3,8-9,14-17,19-20H,1-2,4-7,10-13,21H2
InChIKeyLNRBGSRYRMWIKS-UHFFFAOYSA-N
MW302.44 g/mol
LogP6.38
Rot. Bonds4

About (2,2-dicyclohexyl-1-phenylethyl)phosphane

(2,2-dicyclohexyl-1-phenylethyl)phosphane (PubChem CID 91484013) has the molecular formula C20H31P and a molecular weight of 302.44 g/mol. Its IUPAC name is (2,2-dicyclohexyl-1-phenylethyl)phosphane.

Molecular Properties

Compound Name(2,2-dicyclohexyl-1-phenylethyl)phosphane
PubChem CID91484013
Molecular FormulaC20H31P
Molecular Weight302.44 g/mol
Exact Mass302.22
IUPAC Name(2,2-dicyclohexyl-1-phenylethyl)phosphane
SMILESPC(c1ccccc1)C(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C20H31P/c21-20(18-14-8-3-9-15-18)19(16-10-4-1-5-11-16)17-12-6-2-7-13-17/h3,8-9,14-17,19-20H,1-2,4-7,10-13,21H2
InChIKeyLNRBGSRYRMWIKS-UHFFFAOYSA-N
XLogP6.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.44
LogP ≤ 56.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(R)-cycloheptyl(phenyl)methanol
CID 94502427
cyclohexyl(phenyl)methanamine
CID 11064121
[(1S)-1-cyclopentylethyl]benzene
CID 102346711
(2-cyclopentyl-1-phenylethyl)benzene
CID 138978826
(S)-cyclopentyl(phenyl)methanol
CID 36691435
(R)-cyclopentyl(phenyl)methanol
CID 38988779
(2-cyclopentyl-2-phenylethyl)phosphane
CID 57243650
N,N-dibenzhydrylcyclohexanamine
CID 139723956
2-cycloheptyl-1-phenylethanamine
CID 21261900
(2S)-2-cyclohexyl-2-phenylacetonitrile
CID 6992167
[(2S)-2-cyclohexyl-2-phenylethyl]azanium
CID 6985274
N-methyl-N-[(1R)-1-phenylethyl]cyclohexanamine
CID 68742462

Frequently Asked Questions

What is the IUPAC name of (2,2-dicyclohexyl-1-phenylethyl)phosphane?
The IUPAC name of (2,2-dicyclohexyl-1-phenylethyl)phosphane (CID 91484013) is (2,2-dicyclohexyl-1-phenylethyl)phosphane.
What is the SMILES notation for (2,2-dicyclohexyl-1-phenylethyl)phosphane?
The canonical SMILES for (2,2-dicyclohexyl-1-phenylethyl)phosphane is PC(c1ccccc1)C(C1CCCCC1)C1CCCCC1.
What is the InChIKey of (2,2-dicyclohexyl-1-phenylethyl)phosphane?
The InChIKey is LNRBGSRYRMWIKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31P/c21-20(18-14-8-3-9-15-18)19(16-10-4-1-5-11-16)17-12-6-2-7-13-17/h3,8-9,14-17,19-20H,1-2,4-7,10-13,21H2.
What are the key properties of (2,2-dicyclohexyl-1-phenylethyl)phosphane?
(2,2-dicyclohexyl-1-phenylethyl)phosphane has a molecular weight of 302.44 g/mol, XLogP of 6.38, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dicyclohexyl-1-phenylethyl)phosphane is sourced from PubChem (CID 91484013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).