tri(propan-2-yl)silyl N-[[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]methyl]carbamate

C22H41NO7Si — CID 10766358

IUPACtri(propan-2-yl)silyl N-[[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]methyl]carbamate
SMILESCC(C)[Si](OC(=O)NC[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@H]21)(C(C)C)C(C)C
InChIInChI=1S/C22H41NO7Si/c1-12(2)31(13(3)4,14(5)6)30-20(24)23-11-15-16-17(27-21(7,8)26-16)18-19(25-15)29-22(9,10)28-18/h12-19H,11H2,1-10H3,(H,23,24)/t15-,16+,17+,18-,19-/m1/s1
InChIKeyHKEFHLMNRKTXHA-ICBNADEASA-N
MW459.66 g/mol
LogP4.28
Rot. Bonds6

About tri(propan-2-yl)silyl N-[[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]methyl]carbamate

tri(propan-2-yl)silyl N-[[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]methyl]carbamate (PubChem CID 10766358) has the molecular formula C22H41NO7Si and a molecular weight of 459.66 g/mol. Its IUPAC name is tri(propan-2-yl)silyl N-[[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]methyl]carbamate.

Molecular Properties

Compound Nametri(propan-2-yl)silyl N-[[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]methyl]carbamate
PubChem CID10766358
Molecular FormulaC22H41NO7Si
Molecular Weight459.66 g/mol
Exact Mass459.27
IUPAC Nametri(propan-2-yl)silyl N-[[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]methyl]carbamate
SMILESCC(C)[Si](OC(=O)NC[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@H]21)(C(C)C)C(C)C
InChIInChI=1S/C22H41NO7Si/c1-12(2)31(13(3)4,14(5)6)30-20(24)23-11-15-16-17(27-21(7,8)26-16)18-19(25-15)29-22(9,10)28-18/h12-19H,11H2,1-10H3,(H,23,24)/t15-,16+,17+,18-,19-/m1/s1
InChIKeyHKEFHLMNRKTXHA-ICBNADEASA-N
XLogP4.28
TPSA84.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.66
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze tri(propan-2-yl)silyl N-[[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]methyl]carbamate with MolForge

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Related Compounds

(3'aR,4S,7'S)-7'-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylspiro[1,3-dioxolane-4,6'-3a,4,7,7a-tetrahydro-3H-pyrano[3,4-d][1,3]oxazole]-2'-one
CID 58766040
(3'aR,5S,7'S)-7'-[tert-butyl(dimethyl)silyl]oxy-2',2'-dimethylspiro[1,3-oxazolidine-5,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]-2-one
CID 58766055
(3'aR,5S,7'S)-7'-[tert-butyl(dimethyl)silyl]oxy-2'-sulfanylidenespiro[1,3-oxazolidine-5,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]-2-one
CID 58766058
(3'aR,5S,7'S)-7'-[tert-butyl(dimethyl)silyl]oxyspiro[1,3-oxazolidine-5,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]-2-one
CID 58766075
(3'aR,5S,7'S)-7'-[tert-butyl(dimethyl)silyl]oxy-2',2'-diethylspiro[1,3-oxazolidine-5,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]-2-one
CID 58766081
N-[4-(aminomethyl)-6-[6-[tert-butyl(dimethyl)silyl]oxyhexoxy]-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]acetamide
CID 140787460
tert-butyl N-[[(7S)-7-amino-6-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methyl]carbamate
CID 173997338
tert-butyl N-[[6-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methyl]carbamate
CID 173997344
tert-butyl N-[[(3aS,4R,7R)-7-amino-6-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methyl]carbamate
CID 173997372
tert-butyl N-[[(3aR,4R)-6-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methyl]carbamate
CID 173997377
tert-butyl N-[[(3aS,4R,7R,7aR)-7-amino-6-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methyl]carbamate
CID 174154668
tert-butyl N-[[(3aS,7R,7aR)-7-amino-6-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methyl]carbamate
CID 174154671

Frequently Asked Questions

What is the IUPAC name of tri(propan-2-yl)silyl N-[[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]methyl]carbamate?
The IUPAC name of tri(propan-2-yl)silyl N-[[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]methyl]carbamate (CID 10766358) is tri(propan-2-yl)silyl N-[[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]methyl]carbamate.
What is the SMILES notation for tri(propan-2-yl)silyl N-[[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]methyl]carbamate?
The canonical SMILES for tri(propan-2-yl)silyl N-[[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]methyl]carbamate is CC(C)[Si](OC(=O)NC[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@H]21)(C(C)C)C(C)C.
What is the InChIKey of tri(propan-2-yl)silyl N-[[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]methyl]carbamate?
The InChIKey is HKEFHLMNRKTXHA-ICBNADEASA-N. The full InChI is InChI=1S/C22H41NO7Si/c1-12(2)31(13(3)4,14(5)6)30-20(24)23-11-15-16-17(27-21(7,8)26-16)18-19(25-15)29-22(9,10)28-18/h12-19H,11H2,1-10H3,(H,23,24)/t15-,16+,17+,18-,19-/m1/s1.
What are the key properties of tri(propan-2-yl)silyl N-[[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]methyl]carbamate?
tri(propan-2-yl)silyl N-[[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]methyl]carbamate has a molecular weight of 459.66 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tri(propan-2-yl)silyl N-[[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]methyl]carbamate is sourced from PubChem (CID 10766358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).