(2R)-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]-2-(2-trimethylsilylethoxymethoxy)ethanol

C17H34O5Si — CID 11473473

IUPAC(2R)-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]-2-(2-trimethylsilylethoxymethoxy)ethanol
SMILESC=C1C[C@](OC)([C@@H](CO)OCOCC[Si](C)(C)C)O[C@H](C)[C@@H]1C
InChIInChI=1S/C17H34O5Si/c1-13-10-17(19-4,22-15(3)14(13)2)16(11-18)21-12-20-8-9-23(5,6)7/h14-16,18H,1,8-12H2,2-7H3/t14-,15-,16-,17-/m1/s1
InChIKeyTUVHJKCUZFCLCX-QBPKDAKJSA-N
MW346.54 g/mol
LogP3.02
Rot. Bonds9

About (2R)-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]-2-(2-trimethylsilylethoxymethoxy)ethanol

(2R)-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]-2-(2-trimethylsilylethoxymethoxy)ethanol (PubChem CID 11473473) has the molecular formula C17H34O5Si and a molecular weight of 346.54 g/mol. Its IUPAC name is (2R)-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]-2-(2-trimethylsilylethoxymethoxy)ethanol.

Molecular Properties

Compound Name(2R)-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]-2-(2-trimethylsilylethoxymethoxy)ethanol
PubChem CID11473473
Molecular FormulaC17H34O5Si
Molecular Weight346.54 g/mol
Exact Mass346.22
IUPAC Name(2R)-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]-2-(2-trimethylsilylethoxymethoxy)ethanol
SMILESC=C1C[C@](OC)([C@@H](CO)OCOCC[Si](C)(C)C)O[C@H](C)[C@@H]1C
InChIInChI=1S/C17H34O5Si/c1-13-10-17(19-4,22-15(3)14(13)2)16(11-18)21-12-20-8-9-23(5,6)7/h14-16,18H,1,8-12H2,2-7H3/t14-,15-,16-,17-/m1/s1
InChIKeyTUVHJKCUZFCLCX-QBPKDAKJSA-N
XLogP3.02
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.54
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]-2-(2-trimethylsilylethoxymethoxy)ethanol?
The IUPAC name of (2R)-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]-2-(2-trimethylsilylethoxymethoxy)ethanol (CID 11473473) is (2R)-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]-2-(2-trimethylsilylethoxymethoxy)ethanol.
What is the SMILES notation for (2R)-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]-2-(2-trimethylsilylethoxymethoxy)ethanol?
The canonical SMILES for (2R)-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]-2-(2-trimethylsilylethoxymethoxy)ethanol is C=C1C[C@](OC)([C@@H](CO)OCOCC[Si](C)(C)C)O[C@H](C)[C@@H]1C.
What is the InChIKey of (2R)-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]-2-(2-trimethylsilylethoxymethoxy)ethanol?
The InChIKey is TUVHJKCUZFCLCX-QBPKDAKJSA-N. The full InChI is InChI=1S/C17H34O5Si/c1-13-10-17(19-4,22-15(3)14(13)2)16(11-18)21-12-20-8-9-23(5,6)7/h14-16,18H,1,8-12H2,2-7H3/t14-,15-,16-,17-/m1/s1.
What are the key properties of (2R)-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]-2-(2-trimethylsilylethoxymethoxy)ethanol?
(2R)-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]-2-(2-trimethylsilylethoxymethoxy)ethanol has a molecular weight of 346.54 g/mol, XLogP of 3.02, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]-2-(2-trimethylsilylethoxymethoxy)ethanol is sourced from PubChem (CID 11473473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).