(2S,4S)-2,4-dicyclohexyl-1-(3-phenylpropyl)phosphetane

C24H37P — CID 102185989

IUPAC(2S,4S)-2,4-dicyclohexyl-1-(3-phenylpropyl)phosphetane
SMILESc1ccc(CCCP2[C@H](C3CCCCC3)C[C@H]2C2CCCCC2)cc1
InChIInChI=1S/C24H37P/c1-4-11-20(12-5-1)13-10-18-25-23(21-14-6-2-7-15-21)19-24(25)22-16-8-3-9-17-22/h1,4-5,11-12,21-24H,2-3,6-10,13-19H2/t23-,24-/m0/s1
InChIKeyBMQMQFPPRYBIDZ-ZEQRLZLVSA-N
MW356.53 g/mol
LogP7.40
Rot. Bonds6

About (2S,4S)-2,4-dicyclohexyl-1-(3-phenylpropyl)phosphetane

(2S,4S)-2,4-dicyclohexyl-1-(3-phenylpropyl)phosphetane (PubChem CID 102185989) has the molecular formula C24H37P and a molecular weight of 356.53 g/mol. Its IUPAC name is (2S,4S)-2,4-dicyclohexyl-1-(3-phenylpropyl)phosphetane.

Molecular Properties

Compound Name(2S,4S)-2,4-dicyclohexyl-1-(3-phenylpropyl)phosphetane
PubChem CID102185989
Molecular FormulaC24H37P
Molecular Weight356.53 g/mol
Exact Mass356.26
IUPAC Name(2S,4S)-2,4-dicyclohexyl-1-(3-phenylpropyl)phosphetane
SMILESc1ccc(CCCP2[C@H](C3CCCCC3)C[C@H]2C2CCCCC2)cc1
InChIInChI=1S/C24H37P/c1-4-11-20(12-5-1)13-10-18-25-23(21-14-6-2-7-15-21)19-24(25)22-16-8-3-9-17-22/h1,4-5,11-12,21-24H,2-3,6-10,13-19H2/t23-,24-/m0/s1
InChIKeyBMQMQFPPRYBIDZ-ZEQRLZLVSA-N
XLogP7.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.53
LogP ≤ 57.40
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-(3-phenylpropyl)phosphetane?
The IUPAC name of (2S,4S)-2,4-dicyclohexyl-1-(3-phenylpropyl)phosphetane (CID 102185989) is (2S,4S)-2,4-dicyclohexyl-1-(3-phenylpropyl)phosphetane.
What is the SMILES notation for (2S,4S)-2,4-dicyclohexyl-1-(3-phenylpropyl)phosphetane?
The canonical SMILES for (2S,4S)-2,4-dicyclohexyl-1-(3-phenylpropyl)phosphetane is c1ccc(CCCP2[C@H](C3CCCCC3)C[C@H]2C2CCCCC2)cc1.
What is the InChIKey of (2S,4S)-2,4-dicyclohexyl-1-(3-phenylpropyl)phosphetane?
The InChIKey is BMQMQFPPRYBIDZ-ZEQRLZLVSA-N. The full InChI is InChI=1S/C24H37P/c1-4-11-20(12-5-1)13-10-18-25-23(21-14-6-2-7-15-21)19-24(25)22-16-8-3-9-17-22/h1,4-5,11-12,21-24H,2-3,6-10,13-19H2/t23-,24-/m0/s1.
What are the key properties of (2S,4S)-2,4-dicyclohexyl-1-(3-phenylpropyl)phosphetane?
(2S,4S)-2,4-dicyclohexyl-1-(3-phenylpropyl)phosphetane has a molecular weight of 356.53 g/mol, XLogP of 7.40, 6 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-(3-phenylpropyl)phosphetane is sourced from PubChem (CID 102185989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).