tert-butyl-[(1R)-1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]tridecoxy]-diphenylsilane

C37H58O3Si — CID 102211926

IUPACtert-butyl-[(1R)-1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]tridecoxy]-diphenylsilane
SMILESCCCCCCCCCCCC[C@@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@H]1COC2(CCCCC2)O1
InChIInChI=1S/C37H58O3Si/c1-5-6-7-8-9-10-11-12-13-21-28-34(35-31-38-37(39-35)29-22-16-23-30-37)40-41(36(2,3)4,32-24-17-14-18-25-32)33-26-19-15-20-27-33/h14-15,17-20,24-27,34-35H,5-13,16,21-23,28-31H2,1-4H3/t34-,35-/m1/s1
InChIKeyOFJCVYGAAMHBPS-VSJLXWSYSA-N
MW578.95 g/mol
LogP9.32
Rot. Bonds16

About tert-butyl-[(1R)-1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]tridecoxy]-diphenylsilane

tert-butyl-[(1R)-1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]tridecoxy]-diphenylsilane (PubChem CID 102211926) has the molecular formula C37H58O3Si and a molecular weight of 578.95 g/mol. Its IUPAC name is tert-butyl-[(1R)-1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]tridecoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[(1R)-1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]tridecoxy]-diphenylsilane
PubChem CID102211926
Molecular FormulaC37H58O3Si
Molecular Weight578.95 g/mol
Exact Mass578.42
IUPAC Nametert-butyl-[(1R)-1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]tridecoxy]-diphenylsilane
SMILESCCCCCCCCCCCC[C@@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@H]1COC2(CCCCC2)O1
InChIInChI=1S/C37H58O3Si/c1-5-6-7-8-9-10-11-12-13-21-28-34(35-31-38-37(39-35)29-22-16-23-30-37)40-41(36(2,3)4,32-24-17-14-18-25-32)33-26-19-15-20-27-33/h14-15,17-20,24-27,34-35H,5-13,16,21-23,28-31H2,1-4H3/t34-,35-/m1/s1
InChIKeyOFJCVYGAAMHBPS-VSJLXWSYSA-N
XLogP9.32
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.95
LogP ≤ 59.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze tert-butyl-[(1R)-1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]tridecoxy]-diphenylsilane 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

(4S)-4-[tert-butyl(diphenyl)silyl]oxy-4-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]butanal
CID 53248433
tert-butyl-[(1R)-1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]but-3-enoxy]-diphenylsilane
CID 11597593
1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]hexyl benzoate
CID 139247490
(4S)-4-[tert-butyl(diphenyl)silyl]oxy-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]butan-2-ol
CID 132850699
[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(2R,5R)-5-[(2S,5R)-5-[(1R)-1-[tert-butyl(diphenyl)silyl]oxyundecyl]oxolan-2-yl]oxolan-2-yl]ethyl] methanesulfonate
CID 10700553
tert-butyl-[4-(1,4-dioxaspiro[4.5]decan-3-yl)butoxy]-diphenylsilane
CID 102251326
tert-butyl-diphenyl-tetradecan-2-yloxysilane
CID 71344239
(2S)-2-[tert-butyl(diphenyl)silyl]oxyheptanal
CID 10937503
ethyl (5S)-5-[tert-butyl(diphenyl)silyl]oxy-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-2-ynoate
CID 10672385
tert-butyl-[2-[(4S)-1,5-dioxaspiro[5.5]undecan-4-yl]-2-methylpropoxy]-diphenylsilane
CID 57041576
tert-butyl-[(1S)-1-(furan-2-yl)tridecoxy]-diphenylsilane
CID 71816566
tert-butyl-[(Z)-heptacos-19-en-10-yl]oxy-diphenylsilane
CID 140673619

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(1R)-1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]tridecoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[(1R)-1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]tridecoxy]-diphenylsilane (CID 102211926) is tert-butyl-[(1R)-1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]tridecoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[(1R)-1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]tridecoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[(1R)-1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]tridecoxy]-diphenylsilane is CCCCCCCCCCCC[C@@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@H]1COC2(CCCCC2)O1.
What is the InChIKey of tert-butyl-[(1R)-1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]tridecoxy]-diphenylsilane?
The InChIKey is OFJCVYGAAMHBPS-VSJLXWSYSA-N. The full InChI is InChI=1S/C37H58O3Si/c1-5-6-7-8-9-10-11-12-13-21-28-34(35-31-38-37(39-35)29-22-16-23-30-37)40-41(36(2,3)4,32-24-17-14-18-25-32)33-26-19-15-20-27-33/h14-15,17-20,24-27,34-35H,5-13,16,21-23,28-31H2,1-4H3/t34-,35-/m1/s1.
What are the key properties of tert-butyl-[(1R)-1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]tridecoxy]-diphenylsilane?
tert-butyl-[(1R)-1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]tridecoxy]-diphenylsilane has a molecular weight of 578.95 g/mol, XLogP of 9.32, 16 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(1R)-1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]tridecoxy]-diphenylsilane is sourced from PubChem (CID 102211926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).