tert-butyl-dimethyl-[(3S,4R,5R,6S)-4,5,6-trimethoxy-2-methylideneoxan-3-yl]oxysilane

C15H30O5Si — CID 132581263

IUPACtert-butyl-dimethyl-[(3S,4R,5R,6S)-4,5,6-trimethoxy-2-methylideneoxan-3-yl]oxysilane
SMILESC=C1O[C@H](OC)[C@H](OC)[C@@H](OC)[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H30O5Si/c1-10-11(20-21(8,9)15(2,3)4)12(16-5)13(17-6)14(18-7)19-10/h11-14H,1H2,2-9H3/t11-,12+,13-,14+/m1/s1
InChIKeyCPRNHFFPEQIPIE-RQJABVFESA-N
MW318.49 g/mol
LogP2.92
Rot. Bonds5

About tert-butyl-dimethyl-[(3S,4R,5R,6S)-4,5,6-trimethoxy-2-methylideneoxan-3-yl]oxysilane

tert-butyl-dimethyl-[(3S,4R,5R,6S)-4,5,6-trimethoxy-2-methylideneoxan-3-yl]oxysilane (PubChem CID 132581263) has the molecular formula C15H30O5Si and a molecular weight of 318.49 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(3S,4R,5R,6S)-4,5,6-trimethoxy-2-methylideneoxan-3-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(3S,4R,5R,6S)-4,5,6-trimethoxy-2-methylideneoxan-3-yl]oxysilane
PubChem CID132581263
Molecular FormulaC15H30O5Si
Molecular Weight318.49 g/mol
Exact Mass318.19
IUPAC Nametert-butyl-dimethyl-[(3S,4R,5R,6S)-4,5,6-trimethoxy-2-methylideneoxan-3-yl]oxysilane
SMILESC=C1O[C@H](OC)[C@H](OC)[C@@H](OC)[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H30O5Si/c1-10-11(20-21(8,9)15(2,3)4)12(16-5)13(17-6)14(18-7)19-10/h11-14H,1H2,2-9H3/t11-,12+,13-,14+/m1/s1
InChIKeyCPRNHFFPEQIPIE-RQJABVFESA-N
XLogP2.92
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.49
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(3S,4R,5R,6S)-4,5,6-trimethoxy-2-methylideneoxan-3-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[(3S,4R,5R,6S)-4,5,6-trimethoxy-2-methylideneoxan-3-yl]oxysilane (CID 132581263) is tert-butyl-dimethyl-[(3S,4R,5R,6S)-4,5,6-trimethoxy-2-methylideneoxan-3-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[(3S,4R,5R,6S)-4,5,6-trimethoxy-2-methylideneoxan-3-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[(3S,4R,5R,6S)-4,5,6-trimethoxy-2-methylideneoxan-3-yl]oxysilane is C=C1O[C@H](OC)[C@H](OC)[C@@H](OC)[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(3S,4R,5R,6S)-4,5,6-trimethoxy-2-methylideneoxan-3-yl]oxysilane?
The InChIKey is CPRNHFFPEQIPIE-RQJABVFESA-N. The full InChI is InChI=1S/C15H30O5Si/c1-10-11(20-21(8,9)15(2,3)4)12(16-5)13(17-6)14(18-7)19-10/h11-14H,1H2,2-9H3/t11-,12+,13-,14+/m1/s1.
What are the key properties of tert-butyl-dimethyl-[(3S,4R,5R,6S)-4,5,6-trimethoxy-2-methylideneoxan-3-yl]oxysilane?
tert-butyl-dimethyl-[(3S,4R,5R,6S)-4,5,6-trimethoxy-2-methylideneoxan-3-yl]oxysilane has a molecular weight of 318.49 g/mol, XLogP of 2.92, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(3S,4R,5R,6S)-4,5,6-trimethoxy-2-methylideneoxan-3-yl]oxysilane is sourced from PubChem (CID 132581263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).