(5R)-1-diphenylphosphoryl-2-methyl-5-prop-1-en-2-ylcyclohex-2-ene-1-carbaldehyde

C23H25O2P — CID 101097545

IUPAC(5R)-1-diphenylphosphoryl-2-methyl-5-prop-1-en-2-ylcyclohex-2-ene-1-carbaldehyde
SMILESC=C(C)[C@@H]1CC=C(C)C(C=O)(P(=O)(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C23H25O2P/c1-18(2)20-15-14-19(3)23(16-20,17-24)26(25,21-10-6-4-7-11-21)22-12-8-5-9-13-22/h4-14,17,20H,1,15-16H2,2-3H3/t20-,23?/m1/s1
InChIKeyYGMFYFVIRKYSSY-PPUHSXQSSA-N
MW364.43 g/mol
LogP4.87
Rot. Bonds5

About (5R)-1-diphenylphosphoryl-2-methyl-5-prop-1-en-2-ylcyclohex-2-ene-1-carbaldehyde

(5R)-1-diphenylphosphoryl-2-methyl-5-prop-1-en-2-ylcyclohex-2-ene-1-carbaldehyde (PubChem CID 101097545) has the molecular formula C23H25O2P and a molecular weight of 364.43 g/mol. Its IUPAC name is (5R)-1-diphenylphosphoryl-2-methyl-5-prop-1-en-2-ylcyclohex-2-ene-1-carbaldehyde.

Molecular Properties

Compound Name(5R)-1-diphenylphosphoryl-2-methyl-5-prop-1-en-2-ylcyclohex-2-ene-1-carbaldehyde
PubChem CID101097545
Molecular FormulaC23H25O2P
Molecular Weight364.43 g/mol
Exact Mass364.16
IUPAC Name(5R)-1-diphenylphosphoryl-2-methyl-5-prop-1-en-2-ylcyclohex-2-ene-1-carbaldehyde
SMILESC=C(C)[C@@H]1CC=C(C)C(C=O)(P(=O)(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C23H25O2P/c1-18(2)20-15-14-19(3)23(16-20,17-24)26(25,21-10-6-4-7-11-21)22-12-8-5-9-13-22/h4-14,17,20H,1,15-16H2,2-3H3/t20-,23?/m1/s1
InChIKeyYGMFYFVIRKYSSY-PPUHSXQSSA-N
XLogP4.87
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5R)-1-diphenylphosphoryl-2-methyl-5-prop-1-en-2-ylcyclohex-2-ene-1-carbaldehyde?
The IUPAC name of (5R)-1-diphenylphosphoryl-2-methyl-5-prop-1-en-2-ylcyclohex-2-ene-1-carbaldehyde (CID 101097545) is (5R)-1-diphenylphosphoryl-2-methyl-5-prop-1-en-2-ylcyclohex-2-ene-1-carbaldehyde.
What is the SMILES notation for (5R)-1-diphenylphosphoryl-2-methyl-5-prop-1-en-2-ylcyclohex-2-ene-1-carbaldehyde?
The canonical SMILES for (5R)-1-diphenylphosphoryl-2-methyl-5-prop-1-en-2-ylcyclohex-2-ene-1-carbaldehyde is C=C(C)[C@@H]1CC=C(C)C(C=O)(P(=O)(c2ccccc2)c2ccccc2)C1.
What is the InChIKey of (5R)-1-diphenylphosphoryl-2-methyl-5-prop-1-en-2-ylcyclohex-2-ene-1-carbaldehyde?
The InChIKey is YGMFYFVIRKYSSY-PPUHSXQSSA-N. The full InChI is InChI=1S/C23H25O2P/c1-18(2)20-15-14-19(3)23(16-20,17-24)26(25,21-10-6-4-7-11-21)22-12-8-5-9-13-22/h4-14,17,20H,1,15-16H2,2-3H3/t20-,23?/m1/s1.
What are the key properties of (5R)-1-diphenylphosphoryl-2-methyl-5-prop-1-en-2-ylcyclohex-2-ene-1-carbaldehyde?
(5R)-1-diphenylphosphoryl-2-methyl-5-prop-1-en-2-ylcyclohex-2-ene-1-carbaldehyde has a molecular weight of 364.43 g/mol, XLogP of 4.87, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-1-diphenylphosphoryl-2-methyl-5-prop-1-en-2-ylcyclohex-2-ene-1-carbaldehyde is sourced from PubChem (CID 101097545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).