tert-butyl-dimethyl-[(13S)-13-methylheptadecoxy]silane

C24H52OSi — CID 146679947

IUPACtert-butyl-dimethyl-[(13S)-13-methylheptadecoxy]silane
SMILESCCCC[C@H](C)CCCCCCCCCCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H52OSi/c1-8-9-20-23(2)21-18-16-14-12-10-11-13-15-17-19-22-25-26(6,7)24(3,4)5/h23H,8-22H2,1-7H3/t23-/m0/s1
InChIKeyPBNODBPMDVIJCQ-QHCPKHFHSA-N
MW384.77 g/mol
LogP9.13
Rot. Bonds17

About tert-butyl-dimethyl-[(13S)-13-methylheptadecoxy]silane

tert-butyl-dimethyl-[(13S)-13-methylheptadecoxy]silane (PubChem CID 146679947) has the molecular formula C24H52OSi and a molecular weight of 384.77 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(13S)-13-methylheptadecoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(13S)-13-methylheptadecoxy]silane
PubChem CID146679947
Molecular FormulaC24H52OSi
Molecular Weight384.77 g/mol
Exact Mass384.38
IUPAC Nametert-butyl-dimethyl-[(13S)-13-methylheptadecoxy]silane
SMILESCCCC[C@H](C)CCCCCCCCCCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H52OSi/c1-8-9-20-23(2)21-18-16-14-12-10-11-13-15-17-19-22-25-26(6,7)24(3,4)5/h23H,8-22H2,1-7H3/t23-/m0/s1
InChIKeyPBNODBPMDVIJCQ-QHCPKHFHSA-N
XLogP9.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.77
LogP ≤ 59.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(13S)-13-methylheptadecoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[(13S)-13-methylheptadecoxy]silane (CID 146679947) is tert-butyl-dimethyl-[(13S)-13-methylheptadecoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[(13S)-13-methylheptadecoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[(13S)-13-methylheptadecoxy]silane is CCCC[C@H](C)CCCCCCCCCCCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(13S)-13-methylheptadecoxy]silane?
The InChIKey is PBNODBPMDVIJCQ-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H52OSi/c1-8-9-20-23(2)21-18-16-14-12-10-11-13-15-17-19-22-25-26(6,7)24(3,4)5/h23H,8-22H2,1-7H3/t23-/m0/s1.
What are the key properties of tert-butyl-dimethyl-[(13S)-13-methylheptadecoxy]silane?
tert-butyl-dimethyl-[(13S)-13-methylheptadecoxy]silane has a molecular weight of 384.77 g/mol, XLogP of 9.13, 17 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(13S)-13-methylheptadecoxy]silane is sourced from PubChem (CID 146679947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).