(2R)-2-[[(3aR,5R,6S,6aR)-6-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methyl]oxan-3-one

C19H34O6Si — CID 10475277

IUPAC(2R)-2-[[(3aR,5R,6S,6aR)-6-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methyl]oxan-3-one
SMILESCC1(C)O[C@H]2O[C@H](C[C@H]3OCCCC3=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O1
InChIInChI=1S/C19H34O6Si/c1-18(2,3)26(6,7)25-15-14(11-13-12(20)9-8-10-21-13)22-17-16(15)23-19(4,5)24-17/h13-17H,8-11H2,1-7H3/t13-,14-,15+,16-,17-/m1/s1
InChIKeyOOTHJTMRSMJURS-NQNKBUKLSA-N
MW386.56 g/mol
LogP3.39
Rot. Bonds4

About (2R)-2-[[(3aR,5R,6S,6aR)-6-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methyl]oxan-3-one

(2R)-2-[[(3aR,5R,6S,6aR)-6-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methyl]oxan-3-one (PubChem CID 10475277) has the molecular formula C19H34O6Si and a molecular weight of 386.56 g/mol. Its IUPAC name is (2R)-2-[[(3aR,5R,6S,6aR)-6-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methyl]oxan-3-one.

Molecular Properties

Compound Name(2R)-2-[[(3aR,5R,6S,6aR)-6-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methyl]oxan-3-one
PubChem CID10475277
Molecular FormulaC19H34O6Si
Molecular Weight386.56 g/mol
Exact Mass386.21
IUPAC Name(2R)-2-[[(3aR,5R,6S,6aR)-6-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methyl]oxan-3-one
SMILESCC1(C)O[C@H]2O[C@H](C[C@H]3OCCCC3=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O1
InChIInChI=1S/C19H34O6Si/c1-18(2,3)26(6,7)25-15-14(11-13-12(20)9-8-10-21-13)22-17-16(15)23-19(4,5)24-17/h13-17H,8-11H2,1-7H3/t13-,14-,15+,16-,17-/m1/s1
InChIKeyOOTHJTMRSMJURS-NQNKBUKLSA-N
XLogP3.39
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.56
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (2R)-2-[[(3aR,5R,6S,6aR)-6-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methyl]oxan-3-one with MolForge

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Launch Full Analysis

Related Compounds

methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(1S,2R,6R,8S,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]acetate
CID 134832224
methyl (2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(1S,2R,6R,8S,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]acetate
CID 134832225
3-[(4R,6S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]propanal
CID 134838324
1-[(3aS,5S,6R)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-[tert-butyl(dimethyl)silyl]oxyethanone
CID 59269850
1-[(3aR,5S,6S)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-[tert-butyl(dimethyl)silyl]oxyethanone
CID 70895156
1-[(3aR,5S)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-[tert-butyl(dimethyl)silyl]oxyethanone
CID 70897796
(3aR,6R,6aR)-6-[(R)-[tert-butyl(dimethyl)silyl]oxy-[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]methyl]-2,2-diethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one
CID 10551862
(3aR,4R,7aR)-4-[(S)-[tert-butyl(dimethyl)silyl]oxy-[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]methyl]-2,2-diethyl-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-one
CID 10600525
(2R)-2-[(2S,3R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-4-[(2S)-6-methoxy-3-oxooxan-2-yl]butyl]-6-methoxyoxan-3-one
CID 10907950
(3aR,6R,6aR)-6-[(S)-[tert-butyl(dimethyl)silyl]oxy-[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]methyl]-2,2-diethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one
CID 10994165
propan-2-yl 3-[(4R,5R)-5-[(R)-[tert-butyl(dimethyl)silyl]oxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-oxopropanoate
CID 11113511
methyl (4R)-4-[tert-butyl(dimethyl)silyl]oxy-4-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-oxobutanoate
CID 11178343

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(3aR,5R,6S,6aR)-6-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methyl]oxan-3-one?
The IUPAC name of (2R)-2-[[(3aR,5R,6S,6aR)-6-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methyl]oxan-3-one (CID 10475277) is (2R)-2-[[(3aR,5R,6S,6aR)-6-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methyl]oxan-3-one.
What is the SMILES notation for (2R)-2-[[(3aR,5R,6S,6aR)-6-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methyl]oxan-3-one?
The canonical SMILES for (2R)-2-[[(3aR,5R,6S,6aR)-6-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methyl]oxan-3-one is CC1(C)O[C@H]2O[C@H](C[C@H]3OCCCC3=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O1.
What is the InChIKey of (2R)-2-[[(3aR,5R,6S,6aR)-6-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methyl]oxan-3-one?
The InChIKey is OOTHJTMRSMJURS-NQNKBUKLSA-N. The full InChI is InChI=1S/C19H34O6Si/c1-18(2,3)26(6,7)25-15-14(11-13-12(20)9-8-10-21-13)22-17-16(15)23-19(4,5)24-17/h13-17H,8-11H2,1-7H3/t13-,14-,15+,16-,17-/m1/s1.
What are the key properties of (2R)-2-[[(3aR,5R,6S,6aR)-6-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methyl]oxan-3-one?
(2R)-2-[[(3aR,5R,6S,6aR)-6-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methyl]oxan-3-one has a molecular weight of 386.56 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(3aR,5R,6S,6aR)-6-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methyl]oxan-3-one is sourced from PubChem (CID 10475277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).