2,3-dimethylbutan-2-yl-[(1S,2R)-3-[(5S,6R)-5-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-6-(ethoxymethoxy)cyclohexen-1-yl]-2-(ethoxymethoxy)cyclohex-3-en-1-yl]oxy-dimethylsilane

C34H66O6Si2 — CID 10722635

IUPAC2,3-dimethylbutan-2-yl-[(1S,2R)-3-[(5S,6R)-5-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-6-(ethoxymethoxy)cyclohexen-1-yl]-2-(ethoxymethoxy)cyclohex-3-en-1-yl]oxy-dimethylsilane
SMILESCCOCO[C@@H]1C(C2=CCC[C@H](O[Si](C)(C)C(C)(C)C(C)C)[C@@H]2OCOCC)=CCC[C@@H]1O[Si](C)(C)C(C)(C)C(C)C
InChIInChI=1S/C34H66O6Si2/c1-15-35-23-37-31-27(19-17-21-29(31)39-41(11,12)33(7,8)25(3)4)28-20-18-22-30(32(28)38-24-36-16-2)40-42(13,14)34(9,10)26(5)6/h19-20,25-26,29-32H,15-18,21-24H2,1-14H3/t29-,30-,31+,32+/m0/s1
InChIKeySIQRAURYVUHXJG-GASGPIRDSA-N
MW627.07 g/mol
LogP9.24
Rot. Bonds17

About 2,3-dimethylbutan-2-yl-[(1S,2R)-3-[(5S,6R)-5-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-6-(ethoxymethoxy)cyclohexen-1-yl]-2-(ethoxymethoxy)cyclohex-3-en-1-yl]oxy-dimethylsilane

2,3-dimethylbutan-2-yl-[(1S,2R)-3-[(5S,6R)-5-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-6-(ethoxymethoxy)cyclohexen-1-yl]-2-(ethoxymethoxy)cyclohex-3-en-1-yl]oxy-dimethylsilane (PubChem CID 10722635) has the molecular formula C34H66O6Si2 and a molecular weight of 627.07 g/mol. Its IUPAC name is 2,3-dimethylbutan-2-yl-[(1S,2R)-3-[(5S,6R)-5-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-6-(ethoxymethoxy)cyclohexen-1-yl]-2-(ethoxymethoxy)cyclohex-3-en-1-yl]oxy-dimethylsilane.

Molecular Properties

Compound Name2,3-dimethylbutan-2-yl-[(1S,2R)-3-[(5S,6R)-5-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-6-(ethoxymethoxy)cyclohexen-1-yl]-2-(ethoxymethoxy)cyclohex-3-en-1-yl]oxy-dimethylsilane
PubChem CID10722635
Molecular FormulaC34H66O6Si2
Molecular Weight627.07 g/mol
Exact Mass626.44
IUPAC Name2,3-dimethylbutan-2-yl-[(1S,2R)-3-[(5S,6R)-5-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-6-(ethoxymethoxy)cyclohexen-1-yl]-2-(ethoxymethoxy)cyclohex-3-en-1-yl]oxy-dimethylsilane
SMILESCCOCO[C@@H]1C(C2=CCC[C@H](O[Si](C)(C)C(C)(C)C(C)C)[C@@H]2OCOCC)=CCC[C@@H]1O[Si](C)(C)C(C)(C)C(C)C
InChIInChI=1S/C34H66O6Si2/c1-15-35-23-37-31-27(19-17-21-29(31)39-41(11,12)33(7,8)25(3)4)28-20-18-22-30(32(28)38-24-36-16-2)40-42(13,14)34(9,10)26(5)6/h19-20,25-26,29-32H,15-18,21-24H2,1-14H3/t29-,30-,31+,32+/m0/s1
InChIKeySIQRAURYVUHXJG-GASGPIRDSA-N
XLogP9.24
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500627.07
LogP ≤ 59.24
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'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylbutan-2-yl-[(1S,2R)-3-[(5S,6R)-5-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-6-(ethoxymethoxy)cyclohexen-1-yl]-2-(ethoxymethoxy)cyclohex-3-en-1-yl]oxy-dimethylsilane?
The IUPAC name of 2,3-dimethylbutan-2-yl-[(1S,2R)-3-[(5S,6R)-5-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-6-(ethoxymethoxy)cyclohexen-1-yl]-2-(ethoxymethoxy)cyclohex-3-en-1-yl]oxy-dimethylsilane (CID 10722635) is 2,3-dimethylbutan-2-yl-[(1S,2R)-3-[(5S,6R)-5-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-6-(ethoxymethoxy)cyclohexen-1-yl]-2-(ethoxymethoxy)cyclohex-3-en-1-yl]oxy-dimethylsilane.
What is the SMILES notation for 2,3-dimethylbutan-2-yl-[(1S,2R)-3-[(5S,6R)-5-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-6-(ethoxymethoxy)cyclohexen-1-yl]-2-(ethoxymethoxy)cyclohex-3-en-1-yl]oxy-dimethylsilane?
The canonical SMILES for 2,3-dimethylbutan-2-yl-[(1S,2R)-3-[(5S,6R)-5-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-6-(ethoxymethoxy)cyclohexen-1-yl]-2-(ethoxymethoxy)cyclohex-3-en-1-yl]oxy-dimethylsilane is CCOCO[C@@H]1C(C2=CCC[C@H](O[Si](C)(C)C(C)(C)C(C)C)[C@@H]2OCOCC)=CCC[C@@H]1O[Si](C)(C)C(C)(C)C(C)C.
What is the InChIKey of 2,3-dimethylbutan-2-yl-[(1S,2R)-3-[(5S,6R)-5-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-6-(ethoxymethoxy)cyclohexen-1-yl]-2-(ethoxymethoxy)cyclohex-3-en-1-yl]oxy-dimethylsilane?
The InChIKey is SIQRAURYVUHXJG-GASGPIRDSA-N. The full InChI is InChI=1S/C34H66O6Si2/c1-15-35-23-37-31-27(19-17-21-29(31)39-41(11,12)33(7,8)25(3)4)28-20-18-22-30(32(28)38-24-36-16-2)40-42(13,14)34(9,10)26(5)6/h19-20,25-26,29-32H,15-18,21-24H2,1-14H3/t29-,30-,31+,32+/m0/s1.
What are the key properties of 2,3-dimethylbutan-2-yl-[(1S,2R)-3-[(5S,6R)-5-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-6-(ethoxymethoxy)cyclohexen-1-yl]-2-(ethoxymethoxy)cyclohex-3-en-1-yl]oxy-dimethylsilane?
2,3-dimethylbutan-2-yl-[(1S,2R)-3-[(5S,6R)-5-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-6-(ethoxymethoxy)cyclohexen-1-yl]-2-(ethoxymethoxy)cyclohex-3-en-1-yl]oxy-dimethylsilane has a molecular weight of 627.07 g/mol, XLogP of 9.24, 17 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylbutan-2-yl-[(1S,2R)-3-[(5S,6R)-5-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-6-(ethoxymethoxy)cyclohexen-1-yl]-2-(ethoxymethoxy)cyclohex-3-en-1-yl]oxy-dimethylsilane is sourced from PubChem (CID 10722635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).