tert-butyl-[[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(4,8-dimethylnonyl)-2-methyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane

C29H62O4Si2 — CID 14609964

IUPACtert-butyl-[[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(4,8-dimethylnonyl)-2-methyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane
SMILESCC(C)CCCC(C)CCCC1(C)O[C@@H](CO[Si](C)(C)C(C)(C)C)[C@H](CO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C29H62O4Si2/c1-23(2)17-15-18-24(3)19-16-20-29(10)32-25(21-30-34(11,12)27(4,5)6)26(33-29)22-31-35(13,14)28(7,8)9/h23-26H,15-22H2,1-14H3/t24?,25-,26-/m0/s1
InChIKeyRKWKLMFTTNALFX-WIXBZOCESA-N
MW530.98 g/mol
LogP9.16
Rot. Bonds14

About tert-butyl-[[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(4,8-dimethylnonyl)-2-methyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane

tert-butyl-[[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(4,8-dimethylnonyl)-2-methyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane (PubChem CID 14609964) has the molecular formula C29H62O4Si2 and a molecular weight of 530.98 g/mol. Its IUPAC name is tert-butyl-[[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(4,8-dimethylnonyl)-2-methyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(4,8-dimethylnonyl)-2-methyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane
PubChem CID14609964
Molecular FormulaC29H62O4Si2
Molecular Weight530.98 g/mol
Exact Mass530.42
IUPAC Nametert-butyl-[[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(4,8-dimethylnonyl)-2-methyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane
SMILESCC(C)CCCC(C)CCCC1(C)O[C@@H](CO[Si](C)(C)C(C)(C)C)[C@H](CO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C29H62O4Si2/c1-23(2)17-15-18-24(3)19-16-20-29(10)32-25(21-30-34(11,12)27(4,5)6)26(33-29)22-31-35(13,14)28(7,8)9/h23-26H,15-22H2,1-14H3/t24?,25-,26-/m0/s1
InChIKeyRKWKLMFTTNALFX-WIXBZOCESA-N
XLogP9.16
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.98
LogP ≤ 59.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze tert-butyl-[[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(4,8-dimethylnonyl)-2-methyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(4,8-dimethylnonyl)-2-methyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(4,8-dimethylnonyl)-2-methyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane (CID 14609964) is tert-butyl-[[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(4,8-dimethylnonyl)-2-methyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(4,8-dimethylnonyl)-2-methyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(4,8-dimethylnonyl)-2-methyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane is CC(C)CCCC(C)CCCC1(C)O[C@@H](CO[Si](C)(C)C(C)(C)C)[C@H](CO[Si](C)(C)C(C)(C)C)O1.
What is the InChIKey of tert-butyl-[[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(4,8-dimethylnonyl)-2-methyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane?
The InChIKey is RKWKLMFTTNALFX-WIXBZOCESA-N. The full InChI is InChI=1S/C29H62O4Si2/c1-23(2)17-15-18-24(3)19-16-20-29(10)32-25(21-30-34(11,12)27(4,5)6)26(33-29)22-31-35(13,14)28(7,8)9/h23-26H,15-22H2,1-14H3/t24?,25-,26-/m0/s1.
What are the key properties of tert-butyl-[[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(4,8-dimethylnonyl)-2-methyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane?
tert-butyl-[[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(4,8-dimethylnonyl)-2-methyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane has a molecular weight of 530.98 g/mol, XLogP of 9.16, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(4,8-dimethylnonyl)-2-methyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane is sourced from PubChem (CID 14609964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).