(2R,4R)-6-[(2S)-5-[5-[hydroxy(diphenyl)silyl]-5-methylhexyl]-3-methylideneoxolan-2-yl]-N,4-dimethoxy-N,2-dimethylhexanamide

C34H51NO5Si — CID 88927800

IUPAC(2R,4R)-6-[(2S)-5-[5-[hydroxy(diphenyl)silyl]-5-methylhexyl]-3-methylideneoxolan-2-yl]-N,4-dimethoxy-N,2-dimethylhexanamide
SMILESC=C1CC(CCCCC(C)(C)[Si](O)(c2ccccc2)c2ccccc2)O[C@H]1CC[C@H](C[C@@H](C)C(=O)N(C)OC)OC
InChIInChI=1S/C34H51NO5Si/c1-26-24-29(40-32(26)22-21-28(38-6)25-27(2)33(36)35(5)39-7)16-14-15-23-34(3,4)41(37,30-17-10-8-11-18-30)31-19-12-9-13-20-31/h8-13,17-20,27-29,32,37H,1,14-16,21-25H2,2-7H3/t27-,28-,29?,32+/m1/s1
InChIKeyJEJLJASUBXSPCZ-JVPSXMLWSA-N
MW581.87 g/mol
LogP5.63
Rot. Bonds16

About (2R,4R)-6-[(2S)-5-[5-[hydroxy(diphenyl)silyl]-5-methylhexyl]-3-methylideneoxolan-2-yl]-N,4-dimethoxy-N,2-dimethylhexanamide

(2R,4R)-6-[(2S)-5-[5-[hydroxy(diphenyl)silyl]-5-methylhexyl]-3-methylideneoxolan-2-yl]-N,4-dimethoxy-N,2-dimethylhexanamide (PubChem CID 88927800) has the molecular formula C34H51NO5Si and a molecular weight of 581.87 g/mol. Its IUPAC name is (2R,4R)-6-[(2S)-5-[5-[hydroxy(diphenyl)silyl]-5-methylhexyl]-3-methylideneoxolan-2-yl]-N,4-dimethoxy-N,2-dimethylhexanamide.

Molecular Properties

Compound Name(2R,4R)-6-[(2S)-5-[5-[hydroxy(diphenyl)silyl]-5-methylhexyl]-3-methylideneoxolan-2-yl]-N,4-dimethoxy-N,2-dimethylhexanamide
PubChem CID88927800
Molecular FormulaC34H51NO5Si
Molecular Weight581.87 g/mol
Exact Mass581.35
IUPAC Name(2R,4R)-6-[(2S)-5-[5-[hydroxy(diphenyl)silyl]-5-methylhexyl]-3-methylideneoxolan-2-yl]-N,4-dimethoxy-N,2-dimethylhexanamide
SMILESC=C1CC(CCCCC(C)(C)[Si](O)(c2ccccc2)c2ccccc2)O[C@H]1CC[C@H](C[C@@H](C)C(=O)N(C)OC)OC
InChIInChI=1S/C34H51NO5Si/c1-26-24-29(40-32(26)22-21-28(38-6)25-27(2)33(36)35(5)39-7)16-14-15-23-34(3,4)41(37,30-17-10-8-11-18-30)31-19-12-9-13-20-31/h8-13,17-20,27-29,32,37H,1,14-16,21-25H2,2-7H3/t27-,28-,29?,32+/m1/s1
InChIKeyJEJLJASUBXSPCZ-JVPSXMLWSA-N
XLogP5.63
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500581.87
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R,4R)-6-[(2S)-5-[5-[hydroxy(diphenyl)silyl]-5-methylhexyl]-3-methylideneoxolan-2-yl]-N,4-dimethoxy-N,2-dimethylhexanamide?
The IUPAC name of (2R,4R)-6-[(2S)-5-[5-[hydroxy(diphenyl)silyl]-5-methylhexyl]-3-methylideneoxolan-2-yl]-N,4-dimethoxy-N,2-dimethylhexanamide (CID 88927800) is (2R,4R)-6-[(2S)-5-[5-[hydroxy(diphenyl)silyl]-5-methylhexyl]-3-methylideneoxolan-2-yl]-N,4-dimethoxy-N,2-dimethylhexanamide.
What is the SMILES notation for (2R,4R)-6-[(2S)-5-[5-[hydroxy(diphenyl)silyl]-5-methylhexyl]-3-methylideneoxolan-2-yl]-N,4-dimethoxy-N,2-dimethylhexanamide?
The canonical SMILES for (2R,4R)-6-[(2S)-5-[5-[hydroxy(diphenyl)silyl]-5-methylhexyl]-3-methylideneoxolan-2-yl]-N,4-dimethoxy-N,2-dimethylhexanamide is C=C1CC(CCCCC(C)(C)[Si](O)(c2ccccc2)c2ccccc2)O[C@H]1CC[C@H](C[C@@H](C)C(=O)N(C)OC)OC.
What is the InChIKey of (2R,4R)-6-[(2S)-5-[5-[hydroxy(diphenyl)silyl]-5-methylhexyl]-3-methylideneoxolan-2-yl]-N,4-dimethoxy-N,2-dimethylhexanamide?
The InChIKey is JEJLJASUBXSPCZ-JVPSXMLWSA-N. The full InChI is InChI=1S/C34H51NO5Si/c1-26-24-29(40-32(26)22-21-28(38-6)25-27(2)33(36)35(5)39-7)16-14-15-23-34(3,4)41(37,30-17-10-8-11-18-30)31-19-12-9-13-20-31/h8-13,17-20,27-29,32,37H,1,14-16,21-25H2,2-7H3/t27-,28-,29?,32+/m1/s1.
What are the key properties of (2R,4R)-6-[(2S)-5-[5-[hydroxy(diphenyl)silyl]-5-methylhexyl]-3-methylideneoxolan-2-yl]-N,4-dimethoxy-N,2-dimethylhexanamide?
(2R,4R)-6-[(2S)-5-[5-[hydroxy(diphenyl)silyl]-5-methylhexyl]-3-methylideneoxolan-2-yl]-N,4-dimethoxy-N,2-dimethylhexanamide has a molecular weight of 581.87 g/mol, XLogP of 5.63, 16 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-6-[(2S)-5-[5-[hydroxy(diphenyl)silyl]-5-methylhexyl]-3-methylideneoxolan-2-yl]-N,4-dimethoxy-N,2-dimethylhexanamide is sourced from PubChem (CID 88927800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).