(5S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[12-[(5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyl-2-oxooxolan-3-yl]dodecyl]-5-methyloxolan-2-one

C34H66O6Si2 — CID 10508209

IUPAC(5S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[12-[(5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyl-2-oxooxolan-3-yl]dodecyl]-5-methyloxolan-2-one
SMILESC[C@@H]1OC(=O)C(CCCCCCCCCCCCC2C(=O)O[C@@H](C)C2O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C34H66O6Si2/c1-25-29(39-41(9,10)33(3,4)5)27(31(35)37-25)23-21-19-17-15-13-14-16-18-20-22-24-28-30(26(2)38-32(28)36)40-42(11,12)34(6,7)8/h25-30H,13-24H2,1-12H3/t25-,26-,27?,28?,29?,30?/m0/s1
InChIKeyBFHSQVOVGMILDW-AQMZKXFOSA-N
MW627.07 g/mol
LogP9.57
Rot. Bonds17

About (5S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[12-[(5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyl-2-oxooxolan-3-yl]dodecyl]-5-methyloxolan-2-one

(5S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[12-[(5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyl-2-oxooxolan-3-yl]dodecyl]-5-methyloxolan-2-one (PubChem CID 10508209) has the molecular formula C34H66O6Si2 and a molecular weight of 627.07 g/mol. Its IUPAC name is (5S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[12-[(5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyl-2-oxooxolan-3-yl]dodecyl]-5-methyloxolan-2-one.

Molecular Properties

Compound Name(5S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[12-[(5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyl-2-oxooxolan-3-yl]dodecyl]-5-methyloxolan-2-one
PubChem CID10508209
Molecular FormulaC34H66O6Si2
Molecular Weight627.07 g/mol
Exact Mass626.44
IUPAC Name(5S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[12-[(5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyl-2-oxooxolan-3-yl]dodecyl]-5-methyloxolan-2-one
SMILESC[C@@H]1OC(=O)C(CCCCCCCCCCCCC2C(=O)O[C@@H](C)C2O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C34H66O6Si2/c1-25-29(39-41(9,10)33(3,4)5)27(31(35)37-25)23-21-19-17-15-13-14-16-18-20-22-24-28-30(26(2)38-32(28)36)40-42(11,12)34(6,7)8/h25-30H,13-24H2,1-12H3/t25-,26-,27?,28?,29?,30?/m0/s1
InChIKeyBFHSQVOVGMILDW-AQMZKXFOSA-N
XLogP9.57
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500627.07
LogP ≤ 59.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[12-[(5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyl-2-oxooxolan-3-yl]dodecyl]-5-methyloxolan-2-one?
The IUPAC name of (5S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[12-[(5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyl-2-oxooxolan-3-yl]dodecyl]-5-methyloxolan-2-one (CID 10508209) is (5S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[12-[(5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyl-2-oxooxolan-3-yl]dodecyl]-5-methyloxolan-2-one.
What is the SMILES notation for (5S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[12-[(5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyl-2-oxooxolan-3-yl]dodecyl]-5-methyloxolan-2-one?
The canonical SMILES for (5S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[12-[(5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyl-2-oxooxolan-3-yl]dodecyl]-5-methyloxolan-2-one is C[C@@H]1OC(=O)C(CCCCCCCCCCCCC2C(=O)O[C@@H](C)C2O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (5S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[12-[(5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyl-2-oxooxolan-3-yl]dodecyl]-5-methyloxolan-2-one?
The InChIKey is BFHSQVOVGMILDW-AQMZKXFOSA-N. The full InChI is InChI=1S/C34H66O6Si2/c1-25-29(39-41(9,10)33(3,4)5)27(31(35)37-25)23-21-19-17-15-13-14-16-18-20-22-24-28-30(26(2)38-32(28)36)40-42(11,12)34(6,7)8/h25-30H,13-24H2,1-12H3/t25-,26-,27?,28?,29?,30?/m0/s1.
What are the key properties of (5S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[12-[(5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyl-2-oxooxolan-3-yl]dodecyl]-5-methyloxolan-2-one?
(5S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[12-[(5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyl-2-oxooxolan-3-yl]dodecyl]-5-methyloxolan-2-one has a molecular weight of 627.07 g/mol, XLogP of 9.57, 17 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[12-[(5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyl-2-oxooxolan-3-yl]dodecyl]-5-methyloxolan-2-one is sourced from PubChem (CID 10508209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).