dicyclohexyl-[(1R)-1-[2-[methyl(propan-2-yl)phosphanyl]cyclopenta-1,3-dien-1-yl]ethyl]phosphane

C23H40P2 — CID 71251222

IUPACdicyclohexyl-[(1R)-1-[2-[methyl(propan-2-yl)phosphanyl]cyclopenta-1,3-dien-1-yl]ethyl]phosphane
SMILESCC(C)P(C)C1=C([C@@H](C)P(C2CCCCC2)C2CCCCC2)CC=C1
InChIInChI=1S/C23H40P2/c1-18(2)24(4)23-17-11-16-22(23)19(3)25(20-12-7-5-8-13-20)21-14-9-6-10-15-21/h11,17-21H,5-10,12-16H2,1-4H3/t19-,24?/m1/s1
InChIKeyFWDRJCHFMKIDMI-PHSANKKPSA-N
MW378.52 g/mol
LogP8.26
Rot. Bonds6

About dicyclohexyl-[(1R)-1-[2-[methyl(propan-2-yl)phosphanyl]cyclopenta-1,3-dien-1-yl]ethyl]phosphane

dicyclohexyl-[(1R)-1-[2-[methyl(propan-2-yl)phosphanyl]cyclopenta-1,3-dien-1-yl]ethyl]phosphane (PubChem CID 71251222) has the molecular formula C23H40P2 and a molecular weight of 378.52 g/mol. Its IUPAC name is dicyclohexyl-[(1R)-1-[2-[methyl(propan-2-yl)phosphanyl]cyclopenta-1,3-dien-1-yl]ethyl]phosphane.

Molecular Properties

Compound Namedicyclohexyl-[(1R)-1-[2-[methyl(propan-2-yl)phosphanyl]cyclopenta-1,3-dien-1-yl]ethyl]phosphane
PubChem CID71251222
Molecular FormulaC23H40P2
Molecular Weight378.52 g/mol
Exact Mass378.26
IUPAC Namedicyclohexyl-[(1R)-1-[2-[methyl(propan-2-yl)phosphanyl]cyclopenta-1,3-dien-1-yl]ethyl]phosphane
SMILESCC(C)P(C)C1=C([C@@H](C)P(C2CCCCC2)C2CCCCC2)CC=C1
InChIInChI=1S/C23H40P2/c1-18(2)24(4)23-17-11-16-22(23)19(3)25(20-12-7-5-8-13-20)21-14-9-6-10-15-21/h11,17-21H,5-10,12-16H2,1-4H3/t19-,24?/m1/s1
InChIKeyFWDRJCHFMKIDMI-PHSANKKPSA-N
XLogP8.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.52
LogP ≤ 58.26
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-[methyl(propan-2-yl)phosphanyl]cyclopenta-1,3-dien-1-yl]ethyl]phosphane?
The IUPAC name of dicyclohexyl-[(1R)-1-[2-[methyl(propan-2-yl)phosphanyl]cyclopenta-1,3-dien-1-yl]ethyl]phosphane (CID 71251222) is dicyclohexyl-[(1R)-1-[2-[methyl(propan-2-yl)phosphanyl]cyclopenta-1,3-dien-1-yl]ethyl]phosphane.
What is the SMILES notation for dicyclohexyl-[(1R)-1-[2-[methyl(propan-2-yl)phosphanyl]cyclopenta-1,3-dien-1-yl]ethyl]phosphane?
The canonical SMILES for dicyclohexyl-[(1R)-1-[2-[methyl(propan-2-yl)phosphanyl]cyclopenta-1,3-dien-1-yl]ethyl]phosphane is CC(C)P(C)C1=C([C@@H](C)P(C2CCCCC2)C2CCCCC2)CC=C1.
What is the InChIKey of dicyclohexyl-[(1R)-1-[2-[methyl(propan-2-yl)phosphanyl]cyclopenta-1,3-dien-1-yl]ethyl]phosphane?
The InChIKey is FWDRJCHFMKIDMI-PHSANKKPSA-N. The full InChI is InChI=1S/C23H40P2/c1-18(2)24(4)23-17-11-16-22(23)19(3)25(20-12-7-5-8-13-20)21-14-9-6-10-15-21/h11,17-21H,5-10,12-16H2,1-4H3/t19-,24?/m1/s1.
What are the key properties of dicyclohexyl-[(1R)-1-[2-[methyl(propan-2-yl)phosphanyl]cyclopenta-1,3-dien-1-yl]ethyl]phosphane?
dicyclohexyl-[(1R)-1-[2-[methyl(propan-2-yl)phosphanyl]cyclopenta-1,3-dien-1-yl]ethyl]phosphane has a molecular weight of 378.52 g/mol, XLogP of 8.26, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dicyclohexyl-[(1R)-1-[2-[methyl(propan-2-yl)phosphanyl]cyclopenta-1,3-dien-1-yl]ethyl]phosphane is sourced from PubChem (CID 71251222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).