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

C33H49NO4Si — CID 89180528

IUPAC(2R)-6-[(2S)-5-[5-[hydroxy(diphenyl)silyl]-5-methylhexyl]-3-methylideneoxolan-2-yl]-N-methoxy-N,2-dimethylhexanamide
SMILESC=C1CC(CCCCC(C)(C)[Si](O)(c2ccccc2)c2ccccc2)O[C@H]1CCCC[C@@H](C)C(=O)N(C)OC
InChIInChI=1S/C33H49NO4Si/c1-26(32(35)34(5)37-6)17-13-14-23-31-27(2)25-28(38-31)18-15-16-24-33(3,4)39(36,29-19-9-7-10-20-29)30-21-11-8-12-22-30/h7-12,19-22,26,28,31,36H,2,13-18,23-25H2,1,3-6H3/t26-,28?,31+/m1/s1
InChIKeyMIAJLWZSAFFCJW-OLCQBPQLSA-N
MW551.84 g/mol
LogP6.01
Rot. Bonds15

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

(2R)-6-[(2S)-5-[5-[hydroxy(diphenyl)silyl]-5-methylhexyl]-3-methylideneoxolan-2-yl]-N-methoxy-N,2-dimethylhexanamide (PubChem CID 89180528) has the molecular formula C33H49NO4Si and a molecular weight of 551.84 g/mol. Its IUPAC name is (2R)-6-[(2S)-5-[5-[hydroxy(diphenyl)silyl]-5-methylhexyl]-3-methylideneoxolan-2-yl]-N-methoxy-N,2-dimethylhexanamide.

Molecular Properties

Compound Name(2R)-6-[(2S)-5-[5-[hydroxy(diphenyl)silyl]-5-methylhexyl]-3-methylideneoxolan-2-yl]-N-methoxy-N,2-dimethylhexanamide
PubChem CID89180528
Molecular FormulaC33H49NO4Si
Molecular Weight551.84 g/mol
Exact Mass551.34
IUPAC Name(2R)-6-[(2S)-5-[5-[hydroxy(diphenyl)silyl]-5-methylhexyl]-3-methylideneoxolan-2-yl]-N-methoxy-N,2-dimethylhexanamide
SMILESC=C1CC(CCCCC(C)(C)[Si](O)(c2ccccc2)c2ccccc2)O[C@H]1CCCC[C@@H](C)C(=O)N(C)OC
InChIInChI=1S/C33H49NO4Si/c1-26(32(35)34(5)37-6)17-13-14-23-31-27(2)25-28(38-31)18-15-16-24-33(3,4)39(36,29-19-9-7-10-20-29)30-21-11-8-12-22-30/h7-12,19-22,26,28,31,36H,2,13-18,23-25H2,1,3-6H3/t26-,28?,31+/m1/s1
InChIKeyMIAJLWZSAFFCJW-OLCQBPQLSA-N
XLogP6.01
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.84
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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)-6-[(2S)-5-[5-[hydroxy(diphenyl)silyl]-5-methylhexyl]-3-methylideneoxolan-2-yl]-N-methoxy-N,2-dimethylhexanamide?
The IUPAC name of (2R)-6-[(2S)-5-[5-[hydroxy(diphenyl)silyl]-5-methylhexyl]-3-methylideneoxolan-2-yl]-N-methoxy-N,2-dimethylhexanamide (CID 89180528) is (2R)-6-[(2S)-5-[5-[hydroxy(diphenyl)silyl]-5-methylhexyl]-3-methylideneoxolan-2-yl]-N-methoxy-N,2-dimethylhexanamide.
What is the SMILES notation for (2R)-6-[(2S)-5-[5-[hydroxy(diphenyl)silyl]-5-methylhexyl]-3-methylideneoxolan-2-yl]-N-methoxy-N,2-dimethylhexanamide?
The canonical SMILES for (2R)-6-[(2S)-5-[5-[hydroxy(diphenyl)silyl]-5-methylhexyl]-3-methylideneoxolan-2-yl]-N-methoxy-N,2-dimethylhexanamide is C=C1CC(CCCCC(C)(C)[Si](O)(c2ccccc2)c2ccccc2)O[C@H]1CCCC[C@@H](C)C(=O)N(C)OC.
What is the InChIKey of (2R)-6-[(2S)-5-[5-[hydroxy(diphenyl)silyl]-5-methylhexyl]-3-methylideneoxolan-2-yl]-N-methoxy-N,2-dimethylhexanamide?
The InChIKey is MIAJLWZSAFFCJW-OLCQBPQLSA-N. The full InChI is InChI=1S/C33H49NO4Si/c1-26(32(35)34(5)37-6)17-13-14-23-31-27(2)25-28(38-31)18-15-16-24-33(3,4)39(36,29-19-9-7-10-20-29)30-21-11-8-12-22-30/h7-12,19-22,26,28,31,36H,2,13-18,23-25H2,1,3-6H3/t26-,28?,31+/m1/s1.
What are the key properties of (2R)-6-[(2S)-5-[5-[hydroxy(diphenyl)silyl]-5-methylhexyl]-3-methylideneoxolan-2-yl]-N-methoxy-N,2-dimethylhexanamide?
(2R)-6-[(2S)-5-[5-[hydroxy(diphenyl)silyl]-5-methylhexyl]-3-methylideneoxolan-2-yl]-N-methoxy-N,2-dimethylhexanamide has a molecular weight of 551.84 g/mol, XLogP of 6.01, 15 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-6-[(2S)-5-[5-[hydroxy(diphenyl)silyl]-5-methylhexyl]-3-methylideneoxolan-2-yl]-N-methoxy-N,2-dimethylhexanamide is sourced from PubChem (CID 89180528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).