(5S,10R)-10-diethoxyphosphoryl-4-(2-methoxyphenyl)spiro[4.5]decane

C21H33O4P — CID 134830544

IUPAC(5S,10R)-10-diethoxyphosphoryl-4-(2-methoxyphenyl)spiro[4.5]decane
SMILESCCOP(=O)(OCC)[C@@H]1CCCC[C@@]12CCCC2c1ccccc1OC
InChIInChI=1S/C21H33O4P/c1-4-24-26(22,25-5-2)20-14-8-9-15-21(20)16-10-12-18(21)17-11-6-7-13-19(17)23-3/h6-7,11,13,18,20H,4-5,8-10,12,14-16H2,1-3H3/t18?,20-,21+/m1/s1
InChIKeyWDHWLXLENDFAPU-HBYOEVMUSA-N
MW380.47 g/mol
LogP6.16
Rot. Bonds7

About (5S,10R)-10-diethoxyphosphoryl-4-(2-methoxyphenyl)spiro[4.5]decane

(5S,10R)-10-diethoxyphosphoryl-4-(2-methoxyphenyl)spiro[4.5]decane (PubChem CID 134830544) has the molecular formula C21H33O4P and a molecular weight of 380.47 g/mol. Its IUPAC name is (5S,10R)-10-diethoxyphosphoryl-4-(2-methoxyphenyl)spiro[4.5]decane.

Molecular Properties

Compound Name(5S,10R)-10-diethoxyphosphoryl-4-(2-methoxyphenyl)spiro[4.5]decane
PubChem CID134830544
Molecular FormulaC21H33O4P
Molecular Weight380.47 g/mol
Exact Mass380.21
IUPAC Name(5S,10R)-10-diethoxyphosphoryl-4-(2-methoxyphenyl)spiro[4.5]decane
SMILESCCOP(=O)(OCC)[C@@H]1CCCC[C@@]12CCCC2c1ccccc1OC
InChIInChI=1S/C21H33O4P/c1-4-24-26(22,25-5-2)20-14-8-9-15-21(20)16-10-12-18(21)17-11-6-7-13-19(17)23-3/h6-7,11,13,18,20H,4-5,8-10,12,14-16H2,1-3H3/t18?,20-,21+/m1/s1
InChIKeyWDHWLXLENDFAPU-HBYOEVMUSA-N
XLogP6.16
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.47
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5S,10R)-10-diethoxyphosphoryl-4-(2-methoxyphenyl)spiro[4.5]decane?
The IUPAC name of (5S,10R)-10-diethoxyphosphoryl-4-(2-methoxyphenyl)spiro[4.5]decane (CID 134830544) is (5S,10R)-10-diethoxyphosphoryl-4-(2-methoxyphenyl)spiro[4.5]decane.
What is the SMILES notation for (5S,10R)-10-diethoxyphosphoryl-4-(2-methoxyphenyl)spiro[4.5]decane?
The canonical SMILES for (5S,10R)-10-diethoxyphosphoryl-4-(2-methoxyphenyl)spiro[4.5]decane is CCOP(=O)(OCC)[C@@H]1CCCC[C@@]12CCCC2c1ccccc1OC.
What is the InChIKey of (5S,10R)-10-diethoxyphosphoryl-4-(2-methoxyphenyl)spiro[4.5]decane?
The InChIKey is WDHWLXLENDFAPU-HBYOEVMUSA-N. The full InChI is InChI=1S/C21H33O4P/c1-4-24-26(22,25-5-2)20-14-8-9-15-21(20)16-10-12-18(21)17-11-6-7-13-19(17)23-3/h6-7,11,13,18,20H,4-5,8-10,12,14-16H2,1-3H3/t18?,20-,21+/m1/s1.
What are the key properties of (5S,10R)-10-diethoxyphosphoryl-4-(2-methoxyphenyl)spiro[4.5]decane?
(5S,10R)-10-diethoxyphosphoryl-4-(2-methoxyphenyl)spiro[4.5]decane has a molecular weight of 380.47 g/mol, XLogP of 6.16, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,10R)-10-diethoxyphosphoryl-4-(2-methoxyphenyl)spiro[4.5]decane is sourced from PubChem (CID 134830544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).