(1R,3S,8R,11S)-13,13-dimethyl-2,7,12-trioxa-13-silatricyclo[9.5.0.03,8]hexadec-15-ene

C14H24O3Si — CID 11448573

IUPAC(1R,3S,8R,11S)-13,13-dimethyl-2,7,12-trioxa-13-silatricyclo[9.5.0.03,8]hexadec-15-ene
SMILESC[Si]1(C)CC=C[C@H]2O[C@H]3CCCO[C@@H]3CC[C@@H]2O1
InChIInChI=1S/C14H24O3Si/c1-18(2)10-4-6-13-14(17-18)8-7-11-12(16-13)5-3-9-15-11/h4,6,11-14H,3,5,7-10H2,1-2H3/t11-,12+,13-,14+/m1/s1
InChIKeyFBHJYFOILDFFPK-RQJABVFESA-N
MW268.43 g/mol
LogP2.87
Rot. Bonds

About (1R,3S,8R,11S)-13,13-dimethyl-2,7,12-trioxa-13-silatricyclo[9.5.0.03,8]hexadec-15-ene

(1R,3S,8R,11S)-13,13-dimethyl-2,7,12-trioxa-13-silatricyclo[9.5.0.03,8]hexadec-15-ene (PubChem CID 11448573) has the molecular formula C14H24O3Si and a molecular weight of 268.43 g/mol. Its IUPAC name is (1R,3S,8R,11S)-13,13-dimethyl-2,7,12-trioxa-13-silatricyclo[9.5.0.03,8]hexadec-15-ene.

Molecular Properties

Compound Name(1R,3S,8R,11S)-13,13-dimethyl-2,7,12-trioxa-13-silatricyclo[9.5.0.03,8]hexadec-15-ene
PubChem CID11448573
Molecular FormulaC14H24O3Si
Molecular Weight268.43 g/mol
Exact Mass268.15
IUPAC Name(1R,3S,8R,11S)-13,13-dimethyl-2,7,12-trioxa-13-silatricyclo[9.5.0.03,8]hexadec-15-ene
SMILESC[Si]1(C)CC=C[C@H]2O[C@H]3CCCO[C@@H]3CC[C@@H]2O1
InChIInChI=1S/C14H24O3Si/c1-18(2)10-4-6-13-14(17-18)8-7-11-12(16-13)5-3-9-15-11/h4,6,11-14H,3,5,7-10H2,1-2H3/t11-,12+,13-,14+/m1/s1
InChIKeyFBHJYFOILDFFPK-RQJABVFESA-N
XLogP2.87
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

[(4aS,6R,7S,9aR)-6-ethenyl-3,4,4a,6,7,8,9,9a-octahydro-2H-pyrano[3,2-b]oxepin-7-yl]oxy-tert-butyl-dimethylsilane
CID 10380828
[(2R,4aR,6R,9aS)-2-ethenyl-3,4,4a,6,7,8,9,9a-octahydro-2H-pyrano[3,2-b]oxepin-6-yl]methoxy-tert-butyl-dimethylsilane
CID 10359041
(1S,3R,8S,10R,11R)-10-[(1E)-buta-1,3-dienyl]-13,13,15,15-tetra(propan-2-yl)-4,9,12,14,16-pentaoxa-13,15-disilatricyclo[9.5.0.03,8]hexadecane
CID 10972909
(1S,3R,6S,12R,14S,17R,19S,25R)-8,8,23,23-tetramethyl-2,7,13,18,24-pentaoxa-8,23-disilapentacyclo[15.10.0.03,14.06,12.019,25]heptacosa-10,20-diene
CID 11328767
[(4aS,6R,7S,9aR)-6-ethenyl-3,4,4a,6,7,8,9,9a-octahydro-2H-pyrano[3,2-b]oxepin-7-yl]oxy-dimethyl-prop-2-enylsilane
CID 11415233
(5aR,9aS)-2,2-dimethyl-3,5a,7,8,9,9a-hexahydropyrano[2,3-f]oxasilepine
CID 11458284
[(2R,3S,4aR,9aS)-3-[tert-butyl(dimethyl)silyl]oxy-3,4,4a,6,9,9a-hexahydro-2H-pyrano[3,2-b]oxepin-2-yl]methoxy-tert-butyl-dimethylsilane
CID 16120441
(1R,3S,9R,12S)-2,8,13-trioxatricyclo[10.5.0.03,9]heptadeca-5,15-diene
CID 21669792
(1S,3R,8S,11R)-2,7,12-trioxatricyclo[9.4.0.03,8]pentadec-4-ene
CID 21669795

Frequently Asked Questions

What is the IUPAC name of (1R,3S,8R,11S)-13,13-dimethyl-2,7,12-trioxa-13-silatricyclo[9.5.0.03,8]hexadec-15-ene?
The IUPAC name of (1R,3S,8R,11S)-13,13-dimethyl-2,7,12-trioxa-13-silatricyclo[9.5.0.03,8]hexadec-15-ene (CID 11448573) is (1R,3S,8R,11S)-13,13-dimethyl-2,7,12-trioxa-13-silatricyclo[9.5.0.03,8]hexadec-15-ene.
What is the SMILES notation for (1R,3S,8R,11S)-13,13-dimethyl-2,7,12-trioxa-13-silatricyclo[9.5.0.03,8]hexadec-15-ene?
The canonical SMILES for (1R,3S,8R,11S)-13,13-dimethyl-2,7,12-trioxa-13-silatricyclo[9.5.0.03,8]hexadec-15-ene is C[Si]1(C)CC=C[C@H]2O[C@H]3CCCO[C@@H]3CC[C@@H]2O1.
What is the InChIKey of (1R,3S,8R,11S)-13,13-dimethyl-2,7,12-trioxa-13-silatricyclo[9.5.0.03,8]hexadec-15-ene?
The InChIKey is FBHJYFOILDFFPK-RQJABVFESA-N. The full InChI is InChI=1S/C14H24O3Si/c1-18(2)10-4-6-13-14(17-18)8-7-11-12(16-13)5-3-9-15-11/h4,6,11-14H,3,5,7-10H2,1-2H3/t11-,12+,13-,14+/m1/s1.
What are the key properties of (1R,3S,8R,11S)-13,13-dimethyl-2,7,12-trioxa-13-silatricyclo[9.5.0.03,8]hexadec-15-ene?
(1R,3S,8R,11S)-13,13-dimethyl-2,7,12-trioxa-13-silatricyclo[9.5.0.03,8]hexadec-15-ene has a molecular weight of 268.43 g/mol, XLogP of 2.87, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S,8R,11S)-13,13-dimethyl-2,7,12-trioxa-13-silatricyclo[9.5.0.03,8]hexadec-15-ene is sourced from PubChem (CID 11448573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).