N-[(1S,2S,6R)-4-diethoxyphosphoryl-6-prop-2-enoxy-2-tri(propan-2-yl)silyloxycyclohex-3-en-1-yl]acetamide

C24H46NO6PSi — CID 101199564

IUPACN-[(1S,2S,6R)-4-diethoxyphosphoryl-6-prop-2-enoxy-2-tri(propan-2-yl)silyloxycyclohex-3-en-1-yl]acetamide
SMILESC=CCO[C@@H]1CC(P(=O)(OCC)OCC)=C[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@H]1NC(C)=O
InChIInChI=1S/C24H46NO6PSi/c1-11-14-28-22-15-21(32(27,29-12-2)30-13-3)16-23(24(22)25-20(10)26)31-33(17(4)5,18(6)7)19(8)9/h11,16-19,22-24H,1,12-15H2,2-10H3,(H,25,26)/t22-,23+,24+/m1/s1
InChIKeyZQSLAHKVZGADCE-SGNDLWITSA-N
MW503.69 g/mol
LogP6.18
Rot. Bonds14

About N-[(1S,2S,6R)-4-diethoxyphosphoryl-6-prop-2-enoxy-2-tri(propan-2-yl)silyloxycyclohex-3-en-1-yl]acetamide

N-[(1S,2S,6R)-4-diethoxyphosphoryl-6-prop-2-enoxy-2-tri(propan-2-yl)silyloxycyclohex-3-en-1-yl]acetamide (PubChem CID 101199564) has the molecular formula C24H46NO6PSi and a molecular weight of 503.69 g/mol. Its IUPAC name is N-[(1S,2S,6R)-4-diethoxyphosphoryl-6-prop-2-enoxy-2-tri(propan-2-yl)silyloxycyclohex-3-en-1-yl]acetamide.

Molecular Properties

Compound NameN-[(1S,2S,6R)-4-diethoxyphosphoryl-6-prop-2-enoxy-2-tri(propan-2-yl)silyloxycyclohex-3-en-1-yl]acetamide
PubChem CID101199564
Molecular FormulaC24H46NO6PSi
Molecular Weight503.69 g/mol
Exact Mass503.28
IUPAC NameN-[(1S,2S,6R)-4-diethoxyphosphoryl-6-prop-2-enoxy-2-tri(propan-2-yl)silyloxycyclohex-3-en-1-yl]acetamide
SMILESC=CCO[C@@H]1CC(P(=O)(OCC)OCC)=C[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@H]1NC(C)=O
InChIInChI=1S/C24H46NO6PSi/c1-11-14-28-22-15-21(32(27,29-12-2)30-13-3)16-23(24(22)25-20(10)26)31-33(17(4)5,18(6)7)19(8)9/h11,16-19,22-24H,1,12-15H2,2-10H3,(H,25,26)/t22-,23+,24+/m1/s1
InChIKeyZQSLAHKVZGADCE-SGNDLWITSA-N
XLogP6.18
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.69
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', '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 N-[(1S,2S,6R)-4-diethoxyphosphoryl-6-prop-2-enoxy-2-tri(propan-2-yl)silyloxycyclohex-3-en-1-yl]acetamide?
The IUPAC name of N-[(1S,2S,6R)-4-diethoxyphosphoryl-6-prop-2-enoxy-2-tri(propan-2-yl)silyloxycyclohex-3-en-1-yl]acetamide (CID 101199564) is N-[(1S,2S,6R)-4-diethoxyphosphoryl-6-prop-2-enoxy-2-tri(propan-2-yl)silyloxycyclohex-3-en-1-yl]acetamide.
What is the SMILES notation for N-[(1S,2S,6R)-4-diethoxyphosphoryl-6-prop-2-enoxy-2-tri(propan-2-yl)silyloxycyclohex-3-en-1-yl]acetamide?
The canonical SMILES for N-[(1S,2S,6R)-4-diethoxyphosphoryl-6-prop-2-enoxy-2-tri(propan-2-yl)silyloxycyclohex-3-en-1-yl]acetamide is C=CCO[C@@H]1CC(P(=O)(OCC)OCC)=C[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@H]1NC(C)=O.
What is the InChIKey of N-[(1S,2S,6R)-4-diethoxyphosphoryl-6-prop-2-enoxy-2-tri(propan-2-yl)silyloxycyclohex-3-en-1-yl]acetamide?
The InChIKey is ZQSLAHKVZGADCE-SGNDLWITSA-N. The full InChI is InChI=1S/C24H46NO6PSi/c1-11-14-28-22-15-21(32(27,29-12-2)30-13-3)16-23(24(22)25-20(10)26)31-33(17(4)5,18(6)7)19(8)9/h11,16-19,22-24H,1,12-15H2,2-10H3,(H,25,26)/t22-,23+,24+/m1/s1.
What are the key properties of N-[(1S,2S,6R)-4-diethoxyphosphoryl-6-prop-2-enoxy-2-tri(propan-2-yl)silyloxycyclohex-3-en-1-yl]acetamide?
N-[(1S,2S,6R)-4-diethoxyphosphoryl-6-prop-2-enoxy-2-tri(propan-2-yl)silyloxycyclohex-3-en-1-yl]acetamide has a molecular weight of 503.69 g/mol, XLogP of 6.18, 14 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S,6R)-4-diethoxyphosphoryl-6-prop-2-enoxy-2-tri(propan-2-yl)silyloxycyclohex-3-en-1-yl]acetamide is sourced from PubChem (CID 101199564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).