(2S,4S)-2,4-dicyclohexyl-1-[2-[(2S,4S)-2,4-dicyclohexylphosphetan-1-yl]ethyl]phosphetane

C32H56P2 — CID 11454879

IUPAC(2S,4S)-2,4-dicyclohexyl-1-[2-[(2S,4S)-2,4-dicyclohexylphosphetan-1-yl]ethyl]phosphetane
SMILESC1CCC([C@@H]2C[C@@H](C3CCCCC3)P2CCP2[C@H](C3CCCCC3)C[C@H]2C2CCCCC2)CC1
InChIInChI=1S/C32H56P2/c1-5-13-25(14-6-1)29-23-30(26-15-7-2-8-16-26)33(29)21-22-34-31(27-17-9-3-10-18-27)24-32(34)28-19-11-4-12-20-28/h25-32H,1-24H2/t29-,30-,31-,32-/m0/s1
InChIKeyPIQCTVRKYSDHCR-YDPTYEFTSA-N
MW502.75 g/mol
LogP10.55
Rot. Bonds7

About (2S,4S)-2,4-dicyclohexyl-1-[2-[(2S,4S)-2,4-dicyclohexylphosphetan-1-yl]ethyl]phosphetane

(2S,4S)-2,4-dicyclohexyl-1-[2-[(2S,4S)-2,4-dicyclohexylphosphetan-1-yl]ethyl]phosphetane (PubChem CID 11454879) has the molecular formula C32H56P2 and a molecular weight of 502.75 g/mol. Its IUPAC name is (2S,4S)-2,4-dicyclohexyl-1-[2-[(2S,4S)-2,4-dicyclohexylphosphetan-1-yl]ethyl]phosphetane.

Molecular Properties

Compound Name(2S,4S)-2,4-dicyclohexyl-1-[2-[(2S,4S)-2,4-dicyclohexylphosphetan-1-yl]ethyl]phosphetane
PubChem CID11454879
Molecular FormulaC32H56P2
Molecular Weight502.75 g/mol
Exact Mass502.39
IUPAC Name(2S,4S)-2,4-dicyclohexyl-1-[2-[(2S,4S)-2,4-dicyclohexylphosphetan-1-yl]ethyl]phosphetane
SMILESC1CCC([C@@H]2C[C@@H](C3CCCCC3)P2CCP2[C@H](C3CCCCC3)C[C@H]2C2CCCCC2)CC1
InChIInChI=1S/C32H56P2/c1-5-13-25(14-6-1)29-23-30(26-15-7-2-8-16-26)33(29)21-22-34-31(27-17-9-3-10-18-27)24-32(34)28-19-11-4-12-20-28/h25-32H,1-24H2/t29-,30-,31-,32-/m0/s1
InChIKeyPIQCTVRKYSDHCR-YDPTYEFTSA-N
XLogP10.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.75
LogP ≤ 510.55
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 (2S,4S)-2,4-dicyclohexyl-1-[2-[(2S,4S)-2,4-dicyclohexylphosphetan-1-yl]ethyl]phosphetane?
The IUPAC name of (2S,4S)-2,4-dicyclohexyl-1-[2-[(2S,4S)-2,4-dicyclohexylphosphetan-1-yl]ethyl]phosphetane (CID 11454879) is (2S,4S)-2,4-dicyclohexyl-1-[2-[(2S,4S)-2,4-dicyclohexylphosphetan-1-yl]ethyl]phosphetane.
What is the SMILES notation for (2S,4S)-2,4-dicyclohexyl-1-[2-[(2S,4S)-2,4-dicyclohexylphosphetan-1-yl]ethyl]phosphetane?
The canonical SMILES for (2S,4S)-2,4-dicyclohexyl-1-[2-[(2S,4S)-2,4-dicyclohexylphosphetan-1-yl]ethyl]phosphetane is C1CCC([C@@H]2C[C@@H](C3CCCCC3)P2CCP2[C@H](C3CCCCC3)C[C@H]2C2CCCCC2)CC1.
What is the InChIKey of (2S,4S)-2,4-dicyclohexyl-1-[2-[(2S,4S)-2,4-dicyclohexylphosphetan-1-yl]ethyl]phosphetane?
The InChIKey is PIQCTVRKYSDHCR-YDPTYEFTSA-N. The full InChI is InChI=1S/C32H56P2/c1-5-13-25(14-6-1)29-23-30(26-15-7-2-8-16-26)33(29)21-22-34-31(27-17-9-3-10-18-27)24-32(34)28-19-11-4-12-20-28/h25-32H,1-24H2/t29-,30-,31-,32-/m0/s1.
What are the key properties of (2S,4S)-2,4-dicyclohexyl-1-[2-[(2S,4S)-2,4-dicyclohexylphosphetan-1-yl]ethyl]phosphetane?
(2S,4S)-2,4-dicyclohexyl-1-[2-[(2S,4S)-2,4-dicyclohexylphosphetan-1-yl]ethyl]phosphetane has a molecular weight of 502.75 g/mol, XLogP of 10.55, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-2,4-dicyclohexyl-1-[2-[(2S,4S)-2,4-dicyclohexylphosphetan-1-yl]ethyl]phosphetane is sourced from PubChem (CID 11454879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).