[(1S,2R,4S,5R)-2,4-dimethyl-8-oxabicyclo[3.2.1]oct-6-en-3-yl]oxy-tri(propan-2-yl)silane

C18H34O2Si — CID 11370334

IUPAC[(1S,2R,4S,5R)-2,4-dimethyl-8-oxabicyclo[3.2.1]oct-6-en-3-yl]oxy-tri(propan-2-yl)silane
SMILESCC(C)[Si](OC1[C@@H](C)[C@H]2C=C[C@H](O2)[C@H]1C)(C(C)C)C(C)C
InChIInChI=1S/C18H34O2Si/c1-11(2)21(12(3)4,13(5)6)20-18-14(7)16-9-10-17(19-16)15(18)8/h9-18H,1-8H3/t14-,15+,16+,17-,18?
InChIKeyLDLGPHRIMCMTIK-JVCSWGHKSA-N
MW310.55 g/mol
LogP5.16
Rot. Bonds5

About [(1S,2R,4S,5R)-2,4-dimethyl-8-oxabicyclo[3.2.1]oct-6-en-3-yl]oxy-tri(propan-2-yl)silane

[(1S,2R,4S,5R)-2,4-dimethyl-8-oxabicyclo[3.2.1]oct-6-en-3-yl]oxy-tri(propan-2-yl)silane (PubChem CID 11370334) has the molecular formula C18H34O2Si and a molecular weight of 310.55 g/mol. Its IUPAC name is [(1S,2R,4S,5R)-2,4-dimethyl-8-oxabicyclo[3.2.1]oct-6-en-3-yl]oxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(1S,2R,4S,5R)-2,4-dimethyl-8-oxabicyclo[3.2.1]oct-6-en-3-yl]oxy-tri(propan-2-yl)silane
PubChem CID11370334
Molecular FormulaC18H34O2Si
Molecular Weight310.55 g/mol
Exact Mass310.23
IUPAC Name[(1S,2R,4S,5R)-2,4-dimethyl-8-oxabicyclo[3.2.1]oct-6-en-3-yl]oxy-tri(propan-2-yl)silane
SMILESCC(C)[Si](OC1[C@@H](C)[C@H]2C=C[C@H](O2)[C@H]1C)(C(C)C)C(C)C
InChIInChI=1S/C18H34O2Si/c1-11(2)21(12(3)4,13(5)6)20-18-14(7)16-9-10-17(19-16)15(18)8/h9-18H,1-8H3/t14-,15+,16+,17-,18?
InChIKeyLDLGPHRIMCMTIK-JVCSWGHKSA-N
XLogP5.16
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.55
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

tert-Butyl(dimethyl){[(1R,3s,5S)-8-oxabicyclo[3.2.1]oct-6-en-3-yl]oxy}silane
CID 11333927
(1R,2R,4S,5S)-3-methoxy-2,4-dimethyl-8-oxabicyclo[3.2.1]oct-6-ene
CID 10080769
[(1S,2S,3R,4R)-1-methyl-3-[tri(propan-2-yl)silyloxymethyl]-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methoxy-tri(propan-2-yl)silane
CID 15174750
[(1S,2S,4S)-1-methyl-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methoxy-tri(propan-2-yl)silane
CID 134887451
tert-butyl-[(E)-3-cyclohexyl-2-[(2S,3S,6R)-3-methyl-6-[(E)-prop-1-enyl]oxan-2-yl]prop-2-enoxy]-dimethylsilane
CID 134900451
tert-butyl-[(Z)-3-[(2S,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-ethenyloxan-2-yl]prop-2-enoxy]-dimethylsilane
CID 134941898
[5-(2,6-Dimethylhept-5-enyl)-2,5-dihydrofuran-2-yl]methyl-trimethylsilane
CID 134996885
tert-butyl-dimethyl-[[(1S,5R)-3-methyl-8-oxabicyclo[3.2.1]oct-6-en-3-yl]oxy]silane
CID 135084458
Tri(propan-2-yl)-[[3-[tri(propan-2-yl)silyloxymethyl]-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methoxy]silane
CID 162415651
[(3R)-2-butyl-3-[(E)-3-pentan-3-yloxyprop-1-enyl]cyclohexen-1-yl]oxy-triethylsilane
CID 176427863
tert-butyl-dimethyl-[[(1S,2R,10S)-12-methyl-11-oxatricyclo[7.2.1.05,10]dodeca-5,9(12)-dien-2-yl]methoxy]silane
CID 21670601
tert-butyl-dimethyl-[[(1S,2S,10S)-12-methyl-11-oxatricyclo[7.2.1.05,10]dodeca-5,9(12)-dien-2-yl]methoxy]silane
CID 21670602

Frequently Asked Questions

What is the IUPAC name of [(1S,2R,4S,5R)-2,4-dimethyl-8-oxabicyclo[3.2.1]oct-6-en-3-yl]oxy-tri(propan-2-yl)silane?
The IUPAC name of [(1S,2R,4S,5R)-2,4-dimethyl-8-oxabicyclo[3.2.1]oct-6-en-3-yl]oxy-tri(propan-2-yl)silane (CID 11370334) is [(1S,2R,4S,5R)-2,4-dimethyl-8-oxabicyclo[3.2.1]oct-6-en-3-yl]oxy-tri(propan-2-yl)silane.
What is the SMILES notation for [(1S,2R,4S,5R)-2,4-dimethyl-8-oxabicyclo[3.2.1]oct-6-en-3-yl]oxy-tri(propan-2-yl)silane?
The canonical SMILES for [(1S,2R,4S,5R)-2,4-dimethyl-8-oxabicyclo[3.2.1]oct-6-en-3-yl]oxy-tri(propan-2-yl)silane is CC(C)[Si](OC1[C@@H](C)[C@H]2C=C[C@H](O2)[C@H]1C)(C(C)C)C(C)C.
What is the InChIKey of [(1S,2R,4S,5R)-2,4-dimethyl-8-oxabicyclo[3.2.1]oct-6-en-3-yl]oxy-tri(propan-2-yl)silane?
The InChIKey is LDLGPHRIMCMTIK-JVCSWGHKSA-N. The full InChI is InChI=1S/C18H34O2Si/c1-11(2)21(12(3)4,13(5)6)20-18-14(7)16-9-10-17(19-16)15(18)8/h9-18H,1-8H3/t14-,15+,16+,17-,18?.
What are the key properties of [(1S,2R,4S,5R)-2,4-dimethyl-8-oxabicyclo[3.2.1]oct-6-en-3-yl]oxy-tri(propan-2-yl)silane?
[(1S,2R,4S,5R)-2,4-dimethyl-8-oxabicyclo[3.2.1]oct-6-en-3-yl]oxy-tri(propan-2-yl)silane has a molecular weight of 310.55 g/mol, XLogP of 5.16, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R,4S,5R)-2,4-dimethyl-8-oxabicyclo[3.2.1]oct-6-en-3-yl]oxy-tri(propan-2-yl)silane is sourced from PubChem (CID 11370334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).