[(1S,2S,4S)-1-methyl-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methoxy-tri(propan-2-yl)silane

C17H32O2Si — CID 134887451

IUPAC[(1S,2S,4S)-1-methyl-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methoxy-tri(propan-2-yl)silane
SMILESCC(C)[Si](OC[C@@H]1C[C@H]2C=C[C@]1(C)O2)(C(C)C)C(C)C
InChIInChI=1S/C17H32O2Si/c1-12(2)20(13(3)4,14(5)6)18-11-15-10-16-8-9-17(15,7)19-16/h8-9,12-16H,10-11H2,1-7H3/t15-,16+,17-/m0/s1
InChIKeyMCIMCKKXKPULRB-BBWFWOEESA-N
MW296.53 g/mol
LogP4.91
Rot. Bonds6

About [(1S,2S,4S)-1-methyl-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methoxy-tri(propan-2-yl)silane

[(1S,2S,4S)-1-methyl-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methoxy-tri(propan-2-yl)silane (PubChem CID 134887451) has the molecular formula C17H32O2Si and a molecular weight of 296.53 g/mol. Its IUPAC name is [(1S,2S,4S)-1-methyl-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methoxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(1S,2S,4S)-1-methyl-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methoxy-tri(propan-2-yl)silane
PubChem CID134887451
Molecular FormulaC17H32O2Si
Molecular Weight296.53 g/mol
Exact Mass296.22
IUPAC Name[(1S,2S,4S)-1-methyl-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methoxy-tri(propan-2-yl)silane
SMILESCC(C)[Si](OC[C@@H]1C[C@H]2C=C[C@]1(C)O2)(C(C)C)C(C)C
InChIInChI=1S/C17H32O2Si/c1-12(2)20(13(3)4,14(5)6)18-11-15-10-16-8-9-17(15,7)19-16/h8-9,12-16H,10-11H2,1-7H3/t15-,16+,17-/m0/s1
InChIKeyMCIMCKKXKPULRB-BBWFWOEESA-N
XLogP4.91
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.53
LogP ≤ 54.91
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

(1S,4R,5R,6S)-5,6-bis(methoxymethyl)-7-oxabicyclo[2.2.1]hept-2-ene
CID 11805420
5,6-Dimethoxymethyl-7-oxanorbornene
CID 12161673
[(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
[(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
Tert-butyl-dimethyl-[(5-prop-2-enoxy-7-oxabicyclo[2.2.1]hept-2-en-1-yl)methoxy]silane
CID 72682513
5,6-Bis(methoxymethyl)-1-methyl-7-oxabicyclo[2.2.1]hept-2-ene
CID 85404952
(1R,4R)-5,6-bis(methoxymethyl)-7-oxabicyclo[2.2.1]hept-2-ene
CID 135020119
(5S,6R)-5,6-bis(methoxymethyl)-7-oxabicyclo[2.2.1]hept-2-ene
CID 135026317
Tri(propan-2-yl)-[[3-[tri(propan-2-yl)silyloxymethyl]-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methoxy]silane
CID 162415651
Trimethoxy-[2-(3-propyl-7-oxabicyclo[2.2.1]hept-5-en-2-yl)ethyl]silane
CID 20649998
5-[(2-Methylpropan-2-yl)oxymethyl]-7-oxabicyclo[2.2.1]hept-2-ene
CID 22618962
5,6-Bis[(2-methylpropan-2-yl)oxymethyl]-7-oxabicyclo[2.2.1]hept-2-ene
CID 22618981

Frequently Asked Questions

What is the IUPAC name of [(1S,2S,4S)-1-methyl-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methoxy-tri(propan-2-yl)silane?
The IUPAC name of [(1S,2S,4S)-1-methyl-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methoxy-tri(propan-2-yl)silane (CID 134887451) is [(1S,2S,4S)-1-methyl-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methoxy-tri(propan-2-yl)silane.
What is the SMILES notation for [(1S,2S,4S)-1-methyl-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methoxy-tri(propan-2-yl)silane?
The canonical SMILES for [(1S,2S,4S)-1-methyl-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methoxy-tri(propan-2-yl)silane is CC(C)[Si](OC[C@@H]1C[C@H]2C=C[C@]1(C)O2)(C(C)C)C(C)C.
What is the InChIKey of [(1S,2S,4S)-1-methyl-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methoxy-tri(propan-2-yl)silane?
The InChIKey is MCIMCKKXKPULRB-BBWFWOEESA-N. The full InChI is InChI=1S/C17H32O2Si/c1-12(2)20(13(3)4,14(5)6)18-11-15-10-16-8-9-17(15,7)19-16/h8-9,12-16H,10-11H2,1-7H3/t15-,16+,17-/m0/s1.
What are the key properties of [(1S,2S,4S)-1-methyl-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methoxy-tri(propan-2-yl)silane?
[(1S,2S,4S)-1-methyl-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methoxy-tri(propan-2-yl)silane has a molecular weight of 296.53 g/mol, XLogP of 4.91, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S,4S)-1-methyl-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methoxy-tri(propan-2-yl)silane is sourced from PubChem (CID 134887451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).