(S)-[(1R,2R)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyhexyl]cyclopropyl]-[(1S,2S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]cyclopropyl]methanol

C24H46O4Si — CID 10622372

IUPAC(S)-[(1R,2R)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyhexyl]cyclopropyl]-[(1S,2S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]cyclopropyl]methanol
SMILESCCCCC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1C[C@H]1[C@@H](O)[C@H]1C[C@@H]1[C@H]1COC(C)(C)O1
InChIInChI=1S/C24H46O4Si/c1-9-10-11-12-20(28-29(7,8)23(2,3)4)16-13-18(16)22(25)19-14-17(19)21-15-26-24(5,6)27-21/h16-22,25H,9-15H2,1-8H3/t16-,17+,18-,19+,20-,21-,22-/m1/s1
InChIKeyBDNIMTULPPONOD-GXVHQLLKSA-N
MW426.71 g/mol
LogP5.74
Rot. Bonds10

About (S)-[(1R,2R)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyhexyl]cyclopropyl]-[(1S,2S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]cyclopropyl]methanol

(S)-[(1R,2R)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyhexyl]cyclopropyl]-[(1S,2S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]cyclopropyl]methanol (PubChem CID 10622372) has the molecular formula C24H46O4Si and a molecular weight of 426.71 g/mol. Its IUPAC name is (S)-[(1R,2R)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyhexyl]cyclopropyl]-[(1S,2S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]cyclopropyl]methanol.

Molecular Properties

Compound Name(S)-[(1R,2R)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyhexyl]cyclopropyl]-[(1S,2S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]cyclopropyl]methanol
PubChem CID10622372
Molecular FormulaC24H46O4Si
Molecular Weight426.71 g/mol
Exact Mass426.32
IUPAC Name(S)-[(1R,2R)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyhexyl]cyclopropyl]-[(1S,2S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]cyclopropyl]methanol
SMILESCCCCC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1C[C@H]1[C@@H](O)[C@H]1C[C@@H]1[C@H]1COC(C)(C)O1
InChIInChI=1S/C24H46O4Si/c1-9-10-11-12-20(28-29(7,8)23(2,3)4)16-13-18(16)22(25)19-14-17(19)21-15-26-24(5,6)27-21/h16-22,25H,9-15H2,1-8H3/t16-,17+,18-,19+,20-,21-,22-/m1/s1
InChIKeyBDNIMTULPPONOD-GXVHQLLKSA-N
XLogP5.74
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.71
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (S)-[(1R,2R)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyhexyl]cyclopropyl]-[(1S,2S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]cyclopropyl]methanol with MolForge

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Related Compounds

(4R,5S)-N-benzyl-4-[(1S)-1-[tert-butyl(dimethyl)silyl]oxypentadecyl]-2,2-dimethyl-1,3-dioxan-5-amine
CID 11497779
tert-butyl-[[(1S,2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]cyclopropyl]methoxy]-dimethylsilane
CID 102183768
[(5S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolan-2-yl] acetate
CID 10863146
(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(4S,5S)-5-heptyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol
CID 53230768
tert-butyl-[(1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[(2R)-oxiran-2-yl]ethoxy]-dimethylsilane
CID 56589789
(1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]pentadecan-1-ol
CID 71567298
(1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]nonan-1-ol
CID 11447934
[(2R,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolan-2-yl]methanol
CID 102271844
[(2S,5S)-5-[(2S,5S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolan-2-yl]oxolan-2-yl]methanol
CID 101359698
(E,5S)-5-[tert-butyl(dimethyl)silyl]oxy-5-[(4S,6R)-2,2,6-trimethyl-1,3-dioxepan-4-yl]pent-2-en-1-ol
CID 71523826
[(1S)-4-bromo-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-ynoxy]-tert-butyl-dimethylsilane
CID 101161098
(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylpropan-1-ol
CID 59226561

Frequently Asked Questions

What is the IUPAC name of (S)-[(1R,2R)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyhexyl]cyclopropyl]-[(1S,2S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]cyclopropyl]methanol?
The IUPAC name of (S)-[(1R,2R)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyhexyl]cyclopropyl]-[(1S,2S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]cyclopropyl]methanol (CID 10622372) is (S)-[(1R,2R)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyhexyl]cyclopropyl]-[(1S,2S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]cyclopropyl]methanol.
What is the SMILES notation for (S)-[(1R,2R)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyhexyl]cyclopropyl]-[(1S,2S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]cyclopropyl]methanol?
The canonical SMILES for (S)-[(1R,2R)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyhexyl]cyclopropyl]-[(1S,2S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]cyclopropyl]methanol is CCCCC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1C[C@H]1[C@@H](O)[C@H]1C[C@@H]1[C@H]1COC(C)(C)O1.
What is the InChIKey of (S)-[(1R,2R)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyhexyl]cyclopropyl]-[(1S,2S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]cyclopropyl]methanol?
The InChIKey is BDNIMTULPPONOD-GXVHQLLKSA-N. The full InChI is InChI=1S/C24H46O4Si/c1-9-10-11-12-20(28-29(7,8)23(2,3)4)16-13-18(16)22(25)19-14-17(19)21-15-26-24(5,6)27-21/h16-22,25H,9-15H2,1-8H3/t16-,17+,18-,19+,20-,21-,22-/m1/s1.
What are the key properties of (S)-[(1R,2R)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyhexyl]cyclopropyl]-[(1S,2S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]cyclopropyl]methanol?
(S)-[(1R,2R)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyhexyl]cyclopropyl]-[(1S,2S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]cyclopropyl]methanol has a molecular weight of 426.71 g/mol, XLogP of 5.74, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-[(1R,2R)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyhexyl]cyclopropyl]-[(1S,2S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]cyclopropyl]methanol is sourced from PubChem (CID 10622372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).