[(1R,2S,4S,6R,8S)-2-[diethyl(propan-2-yl)silyl]oxy-4-methoxy-5,7-dioxatricyclo[6.2.1.02,6]undec-9-en-10-yl]methanol

C18H32O5Si — CID 11121844

IUPAC[(1R,2S,4S,6R,8S)-2-[diethyl(propan-2-yl)silyl]oxy-4-methoxy-5,7-dioxatricyclo[6.2.1.02,6]undec-9-en-10-yl]methanol
SMILESCC[Si](CC)(O[C@]12C[C@@H](OC)O[C@H]1O[C@@H]1C=C(CO)[C@H]2C1)C(C)C
InChIInChI=1S/C18H32O5Si/c1-6-24(7-2,12(3)4)23-18-10-16(20-5)22-17(18)21-14-8-13(11-19)15(18)9-14/h8,12,14-17,19H,6-7,9-11H2,1-5H3/t14-,15-,16+,17-,18+/m1/s1
InChIKeyWOAVCLATFVOUFB-SFFUCWETSA-N
MW356.54 g/mol
LogP3.19
Rot. Bonds7

About [(1R,2S,4S,6R,8S)-2-[diethyl(propan-2-yl)silyl]oxy-4-methoxy-5,7-dioxatricyclo[6.2.1.02,6]undec-9-en-10-yl]methanol

[(1R,2S,4S,6R,8S)-2-[diethyl(propan-2-yl)silyl]oxy-4-methoxy-5,7-dioxatricyclo[6.2.1.02,6]undec-9-en-10-yl]methanol (PubChem CID 11121844) has the molecular formula C18H32O5Si and a molecular weight of 356.54 g/mol. Its IUPAC name is [(1R,2S,4S,6R,8S)-2-[diethyl(propan-2-yl)silyl]oxy-4-methoxy-5,7-dioxatricyclo[6.2.1.02,6]undec-9-en-10-yl]methanol.

Molecular Properties

Compound Name[(1R,2S,4S,6R,8S)-2-[diethyl(propan-2-yl)silyl]oxy-4-methoxy-5,7-dioxatricyclo[6.2.1.02,6]undec-9-en-10-yl]methanol
PubChem CID11121844
Molecular FormulaC18H32O5Si
Molecular Weight356.54 g/mol
Exact Mass356.20
IUPAC Name[(1R,2S,4S,6R,8S)-2-[diethyl(propan-2-yl)silyl]oxy-4-methoxy-5,7-dioxatricyclo[6.2.1.02,6]undec-9-en-10-yl]methanol
SMILESCC[Si](CC)(O[C@]12C[C@@H](OC)O[C@H]1O[C@@H]1C=C(CO)[C@H]2C1)C(C)C
InChIInChI=1S/C18H32O5Si/c1-6-24(7-2,12(3)4)23-18-10-16(20-5)22-17(18)21-14-8-13(11-19)15(18)9-14/h8,12,14-17,19H,6-7,9-11H2,1-5H3/t14-,15-,16+,17-,18+/m1/s1
InChIKeyWOAVCLATFVOUFB-SFFUCWETSA-N
XLogP3.19
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.54
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

(3aS,4R,7S,7aR)-3a-[(Z)-8,8-dimethoxyoct-1-enyl]-2,2-dimethyl-7-tri(propan-2-yl)silyloxy-7,7a-dihydro-4H-1,3-benzodioxol-4-ol
CID 140808404
[(3aR,7R,7aR)-7-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-3a,6,7,7a-tetrahydro-1,3-benzodioxol-5-yl]methanol
CID 135026574
[(1R,5R,7R,8R)-8-(methoxymethoxy)-7-(methoxymethoxymethyl)-7-methyl-5-(2-trimethylsilylethynyl)-6-oxabicyclo[3.2.1]oct-3-en-4-yl]methanol
CID 162406230
tert-butyl-dimethyl-[[(1S,7R,10S,12R,13R,14R)-2,9,11-trioxatetracyclo[5.5.2.04,13.010,14]tetradec-4-en-12-yl]methoxy]silane
CID 10497252
tert-butyl-dimethyl-[[(1S,4R,10S,12R,13S,14S)-2,9,11-trioxatetracyclo[5.5.2.04,13.010,14]tetradec-6-en-12-yl]methoxy]silane
CID 10712080
tert-butyl-dimethyl-[[(1S,10S,12R,13R,14S)-2,9,11-trioxatetracyclo[5.5.2.04,13.010,14]tetradeca-4,6-dien-12-yl]methoxy]silane
CID 10735626
(4S)-4-[(2R,3S,5S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-5-methyloxan-2-yl]-2-[(2S,3S,6R)-3,6-dimethoxy-3,6-dihydro-2H-pyran-2-yl]pent-1-en-3-ol
CID 10874583
(2S,3S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-2-[(1R,6S,7R,8S)-8-methyl-9-oxabicyclo[4.2.1]nona-2,4-dien-7-yl]-3,6-dihydro-2H-pyran-3-ol
CID 11152741
(4S,6R,7R)-3-[(E)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-1-enyl]-7-[2-(1,3-dioxolan-2-yl)ethyl]-6,7-dimethyl-3,4,5,6-tetrahydro-1H-2-benzofuran-4-ol
CID 11167554
(2S,3S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-2-[(1R,6S,7R,8S)-8-methyl-9-oxabicyclo[4.2.1]nona-2,4-dien-7-yl]-3,6-dihydro-2H-pyran-3-ol
CID 11210738
(2S,3R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-2-[(1R,6S,7R,8S)-8-methyl-9-oxabicyclo[4.2.1]nona-2,4-dien-7-yl]-3,6-dihydro-2H-pyran-3-ol
CID 11268541
CID 11597377
CID 11597377

Frequently Asked Questions

What is the IUPAC name of [(1R,2S,4S,6R,8S)-2-[diethyl(propan-2-yl)silyl]oxy-4-methoxy-5,7-dioxatricyclo[6.2.1.02,6]undec-9-en-10-yl]methanol?
The IUPAC name of [(1R,2S,4S,6R,8S)-2-[diethyl(propan-2-yl)silyl]oxy-4-methoxy-5,7-dioxatricyclo[6.2.1.02,6]undec-9-en-10-yl]methanol (CID 11121844) is [(1R,2S,4S,6R,8S)-2-[diethyl(propan-2-yl)silyl]oxy-4-methoxy-5,7-dioxatricyclo[6.2.1.02,6]undec-9-en-10-yl]methanol.
What is the SMILES notation for [(1R,2S,4S,6R,8S)-2-[diethyl(propan-2-yl)silyl]oxy-4-methoxy-5,7-dioxatricyclo[6.2.1.02,6]undec-9-en-10-yl]methanol?
The canonical SMILES for [(1R,2S,4S,6R,8S)-2-[diethyl(propan-2-yl)silyl]oxy-4-methoxy-5,7-dioxatricyclo[6.2.1.02,6]undec-9-en-10-yl]methanol is CC[Si](CC)(O[C@]12C[C@@H](OC)O[C@H]1O[C@@H]1C=C(CO)[C@H]2C1)C(C)C.
What is the InChIKey of [(1R,2S,4S,6R,8S)-2-[diethyl(propan-2-yl)silyl]oxy-4-methoxy-5,7-dioxatricyclo[6.2.1.02,6]undec-9-en-10-yl]methanol?
The InChIKey is WOAVCLATFVOUFB-SFFUCWETSA-N. The full InChI is InChI=1S/C18H32O5Si/c1-6-24(7-2,12(3)4)23-18-10-16(20-5)22-17(18)21-14-8-13(11-19)15(18)9-14/h8,12,14-17,19H,6-7,9-11H2,1-5H3/t14-,15-,16+,17-,18+/m1/s1.
What are the key properties of [(1R,2S,4S,6R,8S)-2-[diethyl(propan-2-yl)silyl]oxy-4-methoxy-5,7-dioxatricyclo[6.2.1.02,6]undec-9-en-10-yl]methanol?
[(1R,2S,4S,6R,8S)-2-[diethyl(propan-2-yl)silyl]oxy-4-methoxy-5,7-dioxatricyclo[6.2.1.02,6]undec-9-en-10-yl]methanol has a molecular weight of 356.54 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S,4S,6R,8S)-2-[diethyl(propan-2-yl)silyl]oxy-4-methoxy-5,7-dioxatricyclo[6.2.1.02,6]undec-9-en-10-yl]methanol is sourced from PubChem (CID 11121844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).