(3S)-3-(methoxymethoxy)-7-trityloxyheptan-1-ol

C28H34O4 — CID 11070122

IUPAC(3S)-3-(methoxymethoxy)-7-trityloxyheptan-1-ol
SMILESCOCO[C@H](CCO)CCCCOC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H34O4/c1-30-23-31-27(20-21-29)19-11-12-22-32-28(24-13-5-2-6-14-24,25-15-7-3-8-16-25)26-17-9-4-10-18-26/h2-10,13-18,27,29H,11-12,19-23H2,1H3/t27-/m0/s1
InChIKeyPXZWRVJIWJVYII-MHZLTWQESA-N
MW434.58 g/mol
LogP5.54
Rot. Bonds14

About (3S)-3-(methoxymethoxy)-7-trityloxyheptan-1-ol

(3S)-3-(methoxymethoxy)-7-trityloxyheptan-1-ol (PubChem CID 11070122) has the molecular formula C28H34O4 and a molecular weight of 434.58 g/mol. Its IUPAC name is (3S)-3-(methoxymethoxy)-7-trityloxyheptan-1-ol.

Molecular Properties

Compound Name(3S)-3-(methoxymethoxy)-7-trityloxyheptan-1-ol
PubChem CID11070122
Molecular FormulaC28H34O4
Molecular Weight434.58 g/mol
Exact Mass434.25
IUPAC Name(3S)-3-(methoxymethoxy)-7-trityloxyheptan-1-ol
SMILESCOCO[C@H](CCO)CCCCOC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H34O4/c1-30-23-31-27(20-21-29)19-11-12-22-32-28(24-13-5-2-6-14-24,25-15-7-3-8-16-25)26-17-9-4-10-18-26/h2-10,13-18,27,29H,11-12,19-23H2,1H3/t27-/m0/s1
InChIKeyPXZWRVJIWJVYII-MHZLTWQESA-N
XLogP5.54
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.58
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-(methoxymethoxy)-7-trityloxyheptan-1-ol?
The IUPAC name of (3S)-3-(methoxymethoxy)-7-trityloxyheptan-1-ol (CID 11070122) is (3S)-3-(methoxymethoxy)-7-trityloxyheptan-1-ol.
What is the SMILES notation for (3S)-3-(methoxymethoxy)-7-trityloxyheptan-1-ol?
The canonical SMILES for (3S)-3-(methoxymethoxy)-7-trityloxyheptan-1-ol is COCO[C@H](CCO)CCCCOC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (3S)-3-(methoxymethoxy)-7-trityloxyheptan-1-ol?
The InChIKey is PXZWRVJIWJVYII-MHZLTWQESA-N. The full InChI is InChI=1S/C28H34O4/c1-30-23-31-27(20-21-29)19-11-12-22-32-28(24-13-5-2-6-14-24,25-15-7-3-8-16-25)26-17-9-4-10-18-26/h2-10,13-18,27,29H,11-12,19-23H2,1H3/t27-/m0/s1.
What are the key properties of (3S)-3-(methoxymethoxy)-7-trityloxyheptan-1-ol?
(3S)-3-(methoxymethoxy)-7-trityloxyheptan-1-ol has a molecular weight of 434.58 g/mol, XLogP of 5.54, 14 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(methoxymethoxy)-7-trityloxyheptan-1-ol is sourced from PubChem (CID 11070122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).