(1S,6S,8S)-3,3-ditert-butyl-8-methoxy-9-methylidene-2,4,7-trioxa-3-silabicyclo[4.2.1]nonane

C15H28O4Si — CID 10990245

IUPAC(1S,6S,8S)-3,3-ditert-butyl-8-methoxy-9-methylidene-2,4,7-trioxa-3-silabicyclo[4.2.1]nonane
SMILESC=C1[C@H]2CO[Si](C(C)(C)C)(C(C)(C)C)O[C@@H]1[C@@H](OC)O2
InChIInChI=1S/C15H28O4Si/c1-10-11-9-17-20(14(2,3)4,15(5,6)7)19-12(10)13(16-8)18-11/h11-13H,1,9H2,2-8H3/t11-,12+,13+/m1/s1
InChIKeyWLMOECJCVMMUIS-AGIUHOORSA-N
MW300.47 g/mol
LogP3.37
Rot. Bonds1

About (1S,6S,8S)-3,3-ditert-butyl-8-methoxy-9-methylidene-2,4,7-trioxa-3-silabicyclo[4.2.1]nonane

(1S,6S,8S)-3,3-ditert-butyl-8-methoxy-9-methylidene-2,4,7-trioxa-3-silabicyclo[4.2.1]nonane (PubChem CID 10990245) has the molecular formula C15H28O4Si and a molecular weight of 300.47 g/mol. Its IUPAC name is (1S,6S,8S)-3,3-ditert-butyl-8-methoxy-9-methylidene-2,4,7-trioxa-3-silabicyclo[4.2.1]nonane.

Molecular Properties

Compound Name(1S,6S,8S)-3,3-ditert-butyl-8-methoxy-9-methylidene-2,4,7-trioxa-3-silabicyclo[4.2.1]nonane
PubChem CID10990245
Molecular FormulaC15H28O4Si
Molecular Weight300.47 g/mol
Exact Mass300.18
IUPAC Name(1S,6S,8S)-3,3-ditert-butyl-8-methoxy-9-methylidene-2,4,7-trioxa-3-silabicyclo[4.2.1]nonane
SMILESC=C1[C@H]2CO[Si](C(C)(C)C)(C(C)(C)C)O[C@@H]1[C@@H](OC)O2
InChIInChI=1S/C15H28O4Si/c1-10-11-9-17-20(14(2,3)4,15(5,6)7)19-12(10)13(16-8)18-11/h11-13H,1,9H2,2-8H3/t11-,12+,13+/m1/s1
InChIKeyWLMOECJCVMMUIS-AGIUHOORSA-N
XLogP3.37
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.47
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3aR,5R,6aR)-5-(2-methoxypropan-2-yloxymethyl)-2,2-dimethyl-6-methylidene-3a,6a-dihydrofuro[2,3-d][1,3]dioxole
CID 135036884
rel-tert-butyl{[(2R,5S)-5-methoxy-3-methylenetetrahydrofuran-2-yl]methoxy}dimethylsilane
CID 639484
[(3aR,5S,6aR)-2,2-dimethyl-6-methylidene-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-dimethylsilane
CID 10335002
[(5S,6aR)-2,2-dimethyl-6-methylidene-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-dimethylsilane
CID 58659688
(6aR,9aS)-8-methoxy-9-methylidene-2,2,4,4-tetra(propan-2-yl)-6a,9a-dihydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocine
CID 69925358
Tert-butyl-[(2,2-dimethyl-6-methylidene-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-5-yl)methoxy]-dimethylsilane
CID 72384888
tert-butyl-[[(2S,5S)-5-methoxy-3-methylideneoxolan-2-yl]methoxy]-dimethylsilane
CID 10777632
tert-butyl-[[(2R,5S)-5-methoxy-3-methylideneoxolan-2-yl]methoxy]-dimethylsilane
CID 22298162

Frequently Asked Questions

What is the IUPAC name of (1S,6S,8S)-3,3-ditert-butyl-8-methoxy-9-methylidene-2,4,7-trioxa-3-silabicyclo[4.2.1]nonane?
The IUPAC name of (1S,6S,8S)-3,3-ditert-butyl-8-methoxy-9-methylidene-2,4,7-trioxa-3-silabicyclo[4.2.1]nonane (CID 10990245) is (1S,6S,8S)-3,3-ditert-butyl-8-methoxy-9-methylidene-2,4,7-trioxa-3-silabicyclo[4.2.1]nonane.
What is the SMILES notation for (1S,6S,8S)-3,3-ditert-butyl-8-methoxy-9-methylidene-2,4,7-trioxa-3-silabicyclo[4.2.1]nonane?
The canonical SMILES for (1S,6S,8S)-3,3-ditert-butyl-8-methoxy-9-methylidene-2,4,7-trioxa-3-silabicyclo[4.2.1]nonane is C=C1[C@H]2CO[Si](C(C)(C)C)(C(C)(C)C)O[C@@H]1[C@@H](OC)O2.
What is the InChIKey of (1S,6S,8S)-3,3-ditert-butyl-8-methoxy-9-methylidene-2,4,7-trioxa-3-silabicyclo[4.2.1]nonane?
The InChIKey is WLMOECJCVMMUIS-AGIUHOORSA-N. The full InChI is InChI=1S/C15H28O4Si/c1-10-11-9-17-20(14(2,3)4,15(5,6)7)19-12(10)13(16-8)18-11/h11-13H,1,9H2,2-8H3/t11-,12+,13+/m1/s1.
What are the key properties of (1S,6S,8S)-3,3-ditert-butyl-8-methoxy-9-methylidene-2,4,7-trioxa-3-silabicyclo[4.2.1]nonane?
(1S,6S,8S)-3,3-ditert-butyl-8-methoxy-9-methylidene-2,4,7-trioxa-3-silabicyclo[4.2.1]nonane has a molecular weight of 300.47 g/mol, XLogP of 3.37, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,6S,8S)-3,3-ditert-butyl-8-methoxy-9-methylidene-2,4,7-trioxa-3-silabicyclo[4.2.1]nonane is sourced from PubChem (CID 10990245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).