(1R,6S,7R,9R)-7-[dimethyl(phenyl)silyl]-3,3-dimethyl-2,4-dioxatricyclo[4.4.4.01,6]tetradecan-9-ol

C22H34O3Si — CID 23229017

IUPAC(1R,6S,7R,9R)-7-[dimethyl(phenyl)silyl]-3,3-dimethyl-2,4-dioxatricyclo[4.4.4.01,6]tetradecan-9-ol
SMILESCC1(C)OC[C@@]23CCCC[C@]2(C[C@@H](O)C[C@H]3[Si](C)(C)c2ccccc2)O1
InChIInChI=1S/C22H34O3Si/c1-20(2)24-16-21-12-8-9-13-22(21,25-20)15-17(23)14-19(21)26(3,4)18-10-6-5-7-11-18/h5-7,10-11,17,19,23H,8-9,12-16H2,1-4H3/t17-,19+,21+,22+/m0/s1
InChIKeyKWNHQULRWXBVQW-RGMHLJPOSA-N
MW374.60 g/mol
LogP4.21
Rot. Bonds2

About (1R,6S,7R,9R)-7-[dimethyl(phenyl)silyl]-3,3-dimethyl-2,4-dioxatricyclo[4.4.4.01,6]tetradecan-9-ol

(1R,6S,7R,9R)-7-[dimethyl(phenyl)silyl]-3,3-dimethyl-2,4-dioxatricyclo[4.4.4.01,6]tetradecan-9-ol (PubChem CID 23229017) has the molecular formula C22H34O3Si and a molecular weight of 374.60 g/mol. Its IUPAC name is (1R,6S,7R,9R)-7-[dimethyl(phenyl)silyl]-3,3-dimethyl-2,4-dioxatricyclo[4.4.4.01,6]tetradecan-9-ol.

Molecular Properties

Compound Name(1R,6S,7R,9R)-7-[dimethyl(phenyl)silyl]-3,3-dimethyl-2,4-dioxatricyclo[4.4.4.01,6]tetradecan-9-ol
PubChem CID23229017
Molecular FormulaC22H34O3Si
Molecular Weight374.60 g/mol
Exact Mass374.23
IUPAC Name(1R,6S,7R,9R)-7-[dimethyl(phenyl)silyl]-3,3-dimethyl-2,4-dioxatricyclo[4.4.4.01,6]tetradecan-9-ol
SMILESCC1(C)OC[C@@]23CCCC[C@]2(C[C@@H](O)C[C@H]3[Si](C)(C)c2ccccc2)O1
InChIInChI=1S/C22H34O3Si/c1-20(2)24-16-21-12-8-9-13-22(21,25-20)15-17(23)14-19(21)26(3,4)18-10-6-5-7-11-18/h5-7,10-11,17,19,23H,8-9,12-16H2,1-4H3/t17-,19+,21+,22+/m0/s1
InChIKeyKWNHQULRWXBVQW-RGMHLJPOSA-N
XLogP4.21
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.60
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

[(1R,6S,7R,9R)-7-[dimethyl(phenyl)silyl]-3,3-dimethyl-2,4-dioxatricyclo[4.4.4.01,6]tetradecan-9-yl] acetate
CID 23229348
trans-(1R,3R)-3-[dimethyl(phenyl)silyl]-4,4-dimethylcyclohexan-1-ol
CID 71423247
cis-(1R,3S)-3-[dimethyl(phenyl)silyl]cyclohexan-1-ol
CID 101053529
cis-(1S,3R)-3-[dimethyl(phenyl)silyl]cyclopentan-1-ol
CID 10013756
cyclopentyl-dimethyl-phenylsilane
CID 59962320
(1S,6R)-10-oxatricyclo[4.3.1.01,6]decan-8-ol
CID 130622309
(3S,4R,6R)-3-[dimethyl(phenyl)silyl]-6-methyloxane-3,4-diol
CID 10978413
(1S,2R,3S,5R)-3-[tert-butyl(diphenyl)silyl]oxy-1,5-dimethylcyclohexane-1,2-diol
CID 11718250
dimethyl-phenyl-[3-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]cyclohexyl]silane
CID 134904089
[(3S,4R,5R,6S)-6-[dimethyl(phenyl)silyl]-5-hydroxy-4,7,7-trimethyl-3-bicyclo[4.1.0]heptanyl] acetate
CID 10427755
dimethyl-phenyl-[(2S,3R)-2,5,5-trimethyloxolan-3-yl]silane
CID 10857837
dimethyl-phenyl-[(2R,3S)-2,5,5-trimethyloxolan-3-yl]silane
CID 101071423

Frequently Asked Questions

What is the IUPAC name of (1R,6S,7R,9R)-7-[dimethyl(phenyl)silyl]-3,3-dimethyl-2,4-dioxatricyclo[4.4.4.01,6]tetradecan-9-ol?
The IUPAC name of (1R,6S,7R,9R)-7-[dimethyl(phenyl)silyl]-3,3-dimethyl-2,4-dioxatricyclo[4.4.4.01,6]tetradecan-9-ol (CID 23229017) is (1R,6S,7R,9R)-7-[dimethyl(phenyl)silyl]-3,3-dimethyl-2,4-dioxatricyclo[4.4.4.01,6]tetradecan-9-ol.
What is the SMILES notation for (1R,6S,7R,9R)-7-[dimethyl(phenyl)silyl]-3,3-dimethyl-2,4-dioxatricyclo[4.4.4.01,6]tetradecan-9-ol?
The canonical SMILES for (1R,6S,7R,9R)-7-[dimethyl(phenyl)silyl]-3,3-dimethyl-2,4-dioxatricyclo[4.4.4.01,6]tetradecan-9-ol is CC1(C)OC[C@@]23CCCC[C@]2(C[C@@H](O)C[C@H]3[Si](C)(C)c2ccccc2)O1.
What is the InChIKey of (1R,6S,7R,9R)-7-[dimethyl(phenyl)silyl]-3,3-dimethyl-2,4-dioxatricyclo[4.4.4.01,6]tetradecan-9-ol?
The InChIKey is KWNHQULRWXBVQW-RGMHLJPOSA-N. The full InChI is InChI=1S/C22H34O3Si/c1-20(2)24-16-21-12-8-9-13-22(21,25-20)15-17(23)14-19(21)26(3,4)18-10-6-5-7-11-18/h5-7,10-11,17,19,23H,8-9,12-16H2,1-4H3/t17-,19+,21+,22+/m0/s1.
What are the key properties of (1R,6S,7R,9R)-7-[dimethyl(phenyl)silyl]-3,3-dimethyl-2,4-dioxatricyclo[4.4.4.01,6]tetradecan-9-ol?
(1R,6S,7R,9R)-7-[dimethyl(phenyl)silyl]-3,3-dimethyl-2,4-dioxatricyclo[4.4.4.01,6]tetradecan-9-ol has a molecular weight of 374.60 g/mol, XLogP of 4.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6S,7R,9R)-7-[dimethyl(phenyl)silyl]-3,3-dimethyl-2,4-dioxatricyclo[4.4.4.01,6]tetradecan-9-ol is sourced from PubChem (CID 23229017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).