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

Name: Tert-butyl-dimethyl-[(13S)-13-methylheptadecoxy]silane — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₂₄H₅₂OSi — CID 146679947

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

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 Name	Tert-butyl-dimethyl-[(13S)-13-methylheptadecoxy]silane
PubChem CID	146679947
Molecular Formula	C₂₄H₅₂OSi
Molecular Weight	384.77 g/mol
Exact Mass	384.38
IUPAC Name	tert-butyl-dimethyl-[(13S)-13-methylheptadecoxy]silane
SMILES	CCCC[C@H](C)CCCCCCCCCCCCO[Si](C)(C)C(C)(C)C
InChI	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
InChIKey	PBNODBPMDVIJCQ-QHCPKHFHSA-N
XLogP	9.13
TPSA	9.23 Å²
H-Bond Donors
H-Bond Acceptors	1
Rotatable Bonds	17
Heavy Atoms	26
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	384.77
LogP ≤ 5	9.13
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

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).

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Sources

PubChem CID 146679947 — identifiers, structure, computed properties (public domain)

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