[(2R,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxepan-3-yl] formate

C24H32O4Si — CID 10949681

IUPAC[(2R,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxepan-3-yl] formate
SMILESCC(C)(C)[Si](OC[C@H]1OCCCC[C@@H]1OC=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H32O4Si/c1-24(2,3)29(20-12-6-4-7-13-20,21-14-8-5-9-15-21)28-18-23-22(27-19-25)16-10-11-17-26-23/h4-9,12-15,19,22-23H,10-11,16-18H2,1-3H3/t22-,23+/m0/s1
InChIKeyGDLRUNHILFWRJC-XZOQPEGZSA-N
MW412.60 g/mol
LogP3.67
Rot. Bonds7

About [(2R,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxepan-3-yl] formate

[(2R,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxepan-3-yl] formate (PubChem CID 10949681) has the molecular formula C24H32O4Si and a molecular weight of 412.60 g/mol. Its IUPAC name is [(2R,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxepan-3-yl] formate.

Molecular Properties

Compound Name[(2R,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxepan-3-yl] formate
PubChem CID10949681
Molecular FormulaC24H32O4Si
Molecular Weight412.60 g/mol
Exact Mass412.21
IUPAC Name[(2R,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxepan-3-yl] formate
SMILESCC(C)(C)[Si](OC[C@H]1OCCCC[C@@H]1OC=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H32O4Si/c1-24(2,3)29(20-12-6-4-7-13-20,21-14-8-5-9-15-21)28-18-23-22(27-19-25)16-10-11-17-26-23/h4-9,12-15,19,22-23H,10-11,16-18H2,1-3H3/t22-,23+/m0/s1
InChIKeyGDLRUNHILFWRJC-XZOQPEGZSA-N
XLogP3.67
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.60
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [(2R,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxepan-3-yl] formate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl-[[(2S)-oxolan-2-yl]methoxy]-diphenylsilane
CID 56616386
tert-butyl-[3-[(2S,3S)-3-methoxyoxan-2-yl]propoxy]-diphenylsilane
CID 23240942
cis-(1R,2R)-2-[tert-butyl(diphenyl)silyl]oxycyclohexane-1-carbaldehyde
CID 58018792
(2R,3S)-2-[[(2R,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]oxiran-2-yl]methyl]oxan-3-ol
CID 102426988
(1S,2S)-2-[(2R,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-3-yl]oxy-1-(4-methylphenyl)but-3-en-1-ol
CID 10482138
(1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-[(2R)-oxan-2-yl]ethanol
CID 15318695
tert-butyl-[(2E)-2-[2-(oxan-2-yloxy)ethylidene]pentoxy]-diphenylsilane
CID 171813189
tert-butyl-[3-(oxocan-2-yl)prop-2-ynoxy]-diphenylsilane;carbon monoxide;cobalt
CID 134882634
tert-butyl-[[(1R,2S)-2-[(Z)-5-(oxan-2-yloxy)pent-2-enyl]cyclopropyl]methoxy]-diphenylsilane
CID 166561282
2-[5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-(4-fluorophenyl)-2-(hydroxymethyl)-4-(oxan-2-yloxy)cyclopentyl]acetic acid
CID 19745383
cis-(1R,2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropane-1-carbaldehyde;cis-(1S,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropane-1-carbaldehyde
CID 162119958
[(3aR,4R,7aR)-2-chloro-4,6,7,7a-tetrahydro-3aH-[1,3,2]dioxalumolo[4,5-c]pyran-4-yl]methoxy-tert-butyl-diphenylsilane
CID 134991651

Frequently Asked Questions

What is the IUPAC name of [(2R,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxepan-3-yl] formate?
The IUPAC name of [(2R,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxepan-3-yl] formate (CID 10949681) is [(2R,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxepan-3-yl] formate.
What is the SMILES notation for [(2R,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxepan-3-yl] formate?
The canonical SMILES for [(2R,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxepan-3-yl] formate is CC(C)(C)[Si](OC[C@H]1OCCCC[C@@H]1OC=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of [(2R,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxepan-3-yl] formate?
The InChIKey is GDLRUNHILFWRJC-XZOQPEGZSA-N. The full InChI is InChI=1S/C24H32O4Si/c1-24(2,3)29(20-12-6-4-7-13-20,21-14-8-5-9-15-21)28-18-23-22(27-19-25)16-10-11-17-26-23/h4-9,12-15,19,22-23H,10-11,16-18H2,1-3H3/t22-,23+/m0/s1.
What are the key properties of [(2R,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxepan-3-yl] formate?
[(2R,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxepan-3-yl] formate has a molecular weight of 412.60 g/mol, XLogP of 3.67, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxepan-3-yl] formate is sourced from PubChem (CID 10949681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).