[(2R,3R,4R,5R,6S)-2-ethenyl-6-methoxy-4,5-bis(phenylmethoxy)oxan-3-yl]oxy-[(2R,3S)-2-ethenyloxan-3-yl]-dimethylsilane

C31H42O6Si — CID 101194681

IUPAC[(2R,3R,4R,5R,6S)-2-ethenyl-6-methoxy-4,5-bis(phenylmethoxy)oxan-3-yl]oxy-[(2R,3S)-2-ethenyloxan-3-yl]-dimethylsilane
SMILESC=C[C@H]1O[C@H](OC)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1O[Si](C)(C)[C@H]1CCCO[C@@H]1C=C
InChIInChI=1S/C31H42O6Si/c1-6-25-27(19-14-20-33-25)38(4,5)37-28-26(7-2)36-31(32-3)30(35-22-24-17-12-9-13-18-24)29(28)34-21-23-15-10-8-11-16-23/h6-13,15-18,25-31H,1-2,14,19-22H2,3-5H3/t25-,26-,27+,28-,29+,30-,31+/m1/s1
InChIKeyQZFAPLJZMRXLMQ-MSHMWPAYSA-N
MW538.76 g/mol
LogP6.04
Rot. Bonds12

About [(2R,3R,4R,5R,6S)-2-ethenyl-6-methoxy-4,5-bis(phenylmethoxy)oxan-3-yl]oxy-[(2R,3S)-2-ethenyloxan-3-yl]-dimethylsilane

[(2R,3R,4R,5R,6S)-2-ethenyl-6-methoxy-4,5-bis(phenylmethoxy)oxan-3-yl]oxy-[(2R,3S)-2-ethenyloxan-3-yl]-dimethylsilane (PubChem CID 101194681) has the molecular formula C31H42O6Si and a molecular weight of 538.76 g/mol. Its IUPAC name is [(2R,3R,4R,5R,6S)-2-ethenyl-6-methoxy-4,5-bis(phenylmethoxy)oxan-3-yl]oxy-[(2R,3S)-2-ethenyloxan-3-yl]-dimethylsilane.

Molecular Properties

Compound Name[(2R,3R,4R,5R,6S)-2-ethenyl-6-methoxy-4,5-bis(phenylmethoxy)oxan-3-yl]oxy-[(2R,3S)-2-ethenyloxan-3-yl]-dimethylsilane
PubChem CID101194681
Molecular FormulaC31H42O6Si
Molecular Weight538.76 g/mol
Exact Mass538.28
IUPAC Name[(2R,3R,4R,5R,6S)-2-ethenyl-6-methoxy-4,5-bis(phenylmethoxy)oxan-3-yl]oxy-[(2R,3S)-2-ethenyloxan-3-yl]-dimethylsilane
SMILESC=C[C@H]1O[C@H](OC)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1O[Si](C)(C)[C@H]1CCCO[C@@H]1C=C
InChIInChI=1S/C31H42O6Si/c1-6-25-27(19-14-20-33-25)38(4,5)37-28-26(7-2)36-31(32-3)30(35-22-24-17-12-9-13-18-24)29(28)34-21-23-15-10-8-11-16-23/h6-13,15-18,25-31H,1-2,14,19-22H2,3-5H3/t25-,26-,27+,28-,29+,30-,31+/m1/s1
InChIKeyQZFAPLJZMRXLMQ-MSHMWPAYSA-N
XLogP6.04
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.76
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4R,5R,6S)-2-ethenyl-6-methoxy-4,5-bis(phenylmethoxy)oxan-3-yl]oxy-[(2R,3S)-2-ethenyloxan-3-yl]-dimethylsilane?
The IUPAC name of [(2R,3R,4R,5R,6S)-2-ethenyl-6-methoxy-4,5-bis(phenylmethoxy)oxan-3-yl]oxy-[(2R,3S)-2-ethenyloxan-3-yl]-dimethylsilane (CID 101194681) is [(2R,3R,4R,5R,6S)-2-ethenyl-6-methoxy-4,5-bis(phenylmethoxy)oxan-3-yl]oxy-[(2R,3S)-2-ethenyloxan-3-yl]-dimethylsilane.
What is the SMILES notation for [(2R,3R,4R,5R,6S)-2-ethenyl-6-methoxy-4,5-bis(phenylmethoxy)oxan-3-yl]oxy-[(2R,3S)-2-ethenyloxan-3-yl]-dimethylsilane?
The canonical SMILES for [(2R,3R,4R,5R,6S)-2-ethenyl-6-methoxy-4,5-bis(phenylmethoxy)oxan-3-yl]oxy-[(2R,3S)-2-ethenyloxan-3-yl]-dimethylsilane is C=C[C@H]1O[C@H](OC)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1O[Si](C)(C)[C@H]1CCCO[C@@H]1C=C.
What is the InChIKey of [(2R,3R,4R,5R,6S)-2-ethenyl-6-methoxy-4,5-bis(phenylmethoxy)oxan-3-yl]oxy-[(2R,3S)-2-ethenyloxan-3-yl]-dimethylsilane?
The InChIKey is QZFAPLJZMRXLMQ-MSHMWPAYSA-N. The full InChI is InChI=1S/C31H42O6Si/c1-6-25-27(19-14-20-33-25)38(4,5)37-28-26(7-2)36-31(32-3)30(35-22-24-17-12-9-13-18-24)29(28)34-21-23-15-10-8-11-16-23/h6-13,15-18,25-31H,1-2,14,19-22H2,3-5H3/t25-,26-,27+,28-,29+,30-,31+/m1/s1.
What are the key properties of [(2R,3R,4R,5R,6S)-2-ethenyl-6-methoxy-4,5-bis(phenylmethoxy)oxan-3-yl]oxy-[(2R,3S)-2-ethenyloxan-3-yl]-dimethylsilane?
[(2R,3R,4R,5R,6S)-2-ethenyl-6-methoxy-4,5-bis(phenylmethoxy)oxan-3-yl]oxy-[(2R,3S)-2-ethenyloxan-3-yl]-dimethylsilane has a molecular weight of 538.76 g/mol, XLogP of 6.04, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4R,5R,6S)-2-ethenyl-6-methoxy-4,5-bis(phenylmethoxy)oxan-3-yl]oxy-[(2R,3S)-2-ethenyloxan-3-yl]-dimethylsilane is sourced from PubChem (CID 101194681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).