(1R,3S,7S,9S)-8-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-5,5,11,11-tetramethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecan-2-ol

C18H34O6Si — CID 70967855

IUPAC(1R,3S,7S,9S)-8-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-5,5,11,11-tetramethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecan-2-ol
SMILESCC1(C)O[C@@H]2C(O)[C@@H]3OC(C)(C)O[C@H]3C(CC(C)(C)[Si](C)(C)O)[C@@H]2O1
InChIInChI=1S/C18H34O6Si/c1-16(2,25(7,8)20)9-10-12-14(23-17(3,4)21-12)11(19)15-13(10)22-18(5,6)24-15/h10-15,19-20H,9H2,1-8H3/t10?,11?,12-,13-,14-,15+/m0/s1
InChIKeySWMHWVSIORQTKY-OIHRLHJKSA-N
MW374.55 g/mol
LogP2.38
Rot. Bonds3

About (1R,3S,7S,9S)-8-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-5,5,11,11-tetramethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecan-2-ol

(1R,3S,7S,9S)-8-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-5,5,11,11-tetramethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecan-2-ol (PubChem CID 70967855) has the molecular formula C18H34O6Si and a molecular weight of 374.55 g/mol. Its IUPAC name is (1R,3S,7S,9S)-8-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-5,5,11,11-tetramethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecan-2-ol.

Molecular Properties

Compound Name(1R,3S,7S,9S)-8-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-5,5,11,11-tetramethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecan-2-ol
PubChem CID70967855
Molecular FormulaC18H34O6Si
Molecular Weight374.55 g/mol
Exact Mass374.21
IUPAC Name(1R,3S,7S,9S)-8-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-5,5,11,11-tetramethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecan-2-ol
SMILESCC1(C)O[C@@H]2C(O)[C@@H]3OC(C)(C)O[C@H]3C(CC(C)(C)[Si](C)(C)O)[C@@H]2O1
InChIInChI=1S/C18H34O6Si/c1-16(2,25(7,8)20)9-10-12-14(23-17(3,4)21-12)11(19)15-13(10)22-18(5,6)24-15/h10-15,19-20H,9H2,1-8H3/t10?,11?,12-,13-,14-,15+/m0/s1
InChIKeySWMHWVSIORQTKY-OIHRLHJKSA-N
XLogP2.38
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.55
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (1R,3S,7S,9S)-8-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-5,5,11,11-tetramethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,3S,7S,9S)-8-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-5,5,11,11-tetramethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecan-2-ol?
The IUPAC name of (1R,3S,7S,9S)-8-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-5,5,11,11-tetramethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecan-2-ol (CID 70967855) is (1R,3S,7S,9S)-8-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-5,5,11,11-tetramethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecan-2-ol.
What is the SMILES notation for (1R,3S,7S,9S)-8-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-5,5,11,11-tetramethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecan-2-ol?
The canonical SMILES for (1R,3S,7S,9S)-8-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-5,5,11,11-tetramethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecan-2-ol is CC1(C)O[C@@H]2C(O)[C@@H]3OC(C)(C)O[C@H]3C(CC(C)(C)[Si](C)(C)O)[C@@H]2O1.
What is the InChIKey of (1R,3S,7S,9S)-8-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-5,5,11,11-tetramethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecan-2-ol?
The InChIKey is SWMHWVSIORQTKY-OIHRLHJKSA-N. The full InChI is InChI=1S/C18H34O6Si/c1-16(2,25(7,8)20)9-10-12-14(23-17(3,4)21-12)11(19)15-13(10)22-18(5,6)24-15/h10-15,19-20H,9H2,1-8H3/t10?,11?,12-,13-,14-,15+/m0/s1.
What are the key properties of (1R,3S,7S,9S)-8-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-5,5,11,11-tetramethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecan-2-ol?
(1R,3S,7S,9S)-8-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-5,5,11,11-tetramethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecan-2-ol has a molecular weight of 374.55 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S,7S,9S)-8-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-5,5,11,11-tetramethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecan-2-ol is sourced from PubChem (CID 70967855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).