tert-butyl-dimethyl-[4-methyl-1-[(4S,5R)-5-prop-2-enyl-4-triethylsilyloxycyclopenten-1-yl]nonan-3-yl]oxysilane

C30H60O2Si2 — CID 18636604

IUPACtert-butyl-dimethyl-[4-methyl-1-[(4S,5R)-5-prop-2-enyl-4-triethylsilyloxycyclopenten-1-yl]nonan-3-yl]oxysilane
SMILESC=CC[C@@H]1C(CCC(O[Si](C)(C)C(C)(C)C)C(C)CCCCC)=CC[C@@H]1O[Si](CC)(CC)CC
InChIInChI=1S/C30H60O2Si2/c1-12-17-18-20-25(6)28(31-33(10,11)30(7,8)9)23-21-26-22-24-29(27(26)19-13-2)32-34(14-3,15-4)16-5/h13,22,25,27-29H,2,12,14-21,23-24H2,1,3-11H3/t25?,27-,28?,29+/m1/s1
InChIKeyXDNYJXDDZVQLDZ-UIZCOEKJSA-N
MW508.98 g/mol
LogP10.29
Rot. Bonds17

About tert-butyl-dimethyl-[4-methyl-1-[(4S,5R)-5-prop-2-enyl-4-triethylsilyloxycyclopenten-1-yl]nonan-3-yl]oxysilane

tert-butyl-dimethyl-[4-methyl-1-[(4S,5R)-5-prop-2-enyl-4-triethylsilyloxycyclopenten-1-yl]nonan-3-yl]oxysilane (PubChem CID 18636604) has the molecular formula C30H60O2Si2 and a molecular weight of 508.98 g/mol. Its IUPAC name is tert-butyl-dimethyl-[4-methyl-1-[(4S,5R)-5-prop-2-enyl-4-triethylsilyloxycyclopenten-1-yl]nonan-3-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[4-methyl-1-[(4S,5R)-5-prop-2-enyl-4-triethylsilyloxycyclopenten-1-yl]nonan-3-yl]oxysilane
PubChem CID18636604
Molecular FormulaC30H60O2Si2
Molecular Weight508.98 g/mol
Exact Mass508.41
IUPAC Nametert-butyl-dimethyl-[4-methyl-1-[(4S,5R)-5-prop-2-enyl-4-triethylsilyloxycyclopenten-1-yl]nonan-3-yl]oxysilane
SMILESC=CC[C@@H]1C(CCC(O[Si](C)(C)C(C)(C)C)C(C)CCCCC)=CC[C@@H]1O[Si](CC)(CC)CC
InChIInChI=1S/C30H60O2Si2/c1-12-17-18-20-25(6)28(31-33(10,11)30(7,8)9)23-21-26-22-24-29(27(26)19-13-2)32-34(14-3,15-4)16-5/h13,22,25,27-29H,2,12,14-21,23-24H2,1,3-11H3/t25?,27-,28?,29+/m1/s1
InChIKeyXDNYJXDDZVQLDZ-UIZCOEKJSA-N
XLogP10.29
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.98
LogP ≤ 510.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[4-methyl-1-[(4S,5R)-5-prop-2-enyl-4-triethylsilyloxycyclopenten-1-yl]nonan-3-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[4-methyl-1-[(4S,5R)-5-prop-2-enyl-4-triethylsilyloxycyclopenten-1-yl]nonan-3-yl]oxysilane (CID 18636604) is tert-butyl-dimethyl-[4-methyl-1-[(4S,5R)-5-prop-2-enyl-4-triethylsilyloxycyclopenten-1-yl]nonan-3-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[4-methyl-1-[(4S,5R)-5-prop-2-enyl-4-triethylsilyloxycyclopenten-1-yl]nonan-3-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[4-methyl-1-[(4S,5R)-5-prop-2-enyl-4-triethylsilyloxycyclopenten-1-yl]nonan-3-yl]oxysilane is C=CC[C@@H]1C(CCC(O[Si](C)(C)C(C)(C)C)C(C)CCCCC)=CC[C@@H]1O[Si](CC)(CC)CC.
What is the InChIKey of tert-butyl-dimethyl-[4-methyl-1-[(4S,5R)-5-prop-2-enyl-4-triethylsilyloxycyclopenten-1-yl]nonan-3-yl]oxysilane?
The InChIKey is XDNYJXDDZVQLDZ-UIZCOEKJSA-N. The full InChI is InChI=1S/C30H60O2Si2/c1-12-17-18-20-25(6)28(31-33(10,11)30(7,8)9)23-21-26-22-24-29(27(26)19-13-2)32-34(14-3,15-4)16-5/h13,22,25,27-29H,2,12,14-21,23-24H2,1,3-11H3/t25?,27-,28?,29+/m1/s1.
What are the key properties of tert-butyl-dimethyl-[4-methyl-1-[(4S,5R)-5-prop-2-enyl-4-triethylsilyloxycyclopenten-1-yl]nonan-3-yl]oxysilane?
tert-butyl-dimethyl-[4-methyl-1-[(4S,5R)-5-prop-2-enyl-4-triethylsilyloxycyclopenten-1-yl]nonan-3-yl]oxysilane has a molecular weight of 508.98 g/mol, XLogP of 10.29, 17 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[4-methyl-1-[(4S,5R)-5-prop-2-enyl-4-triethylsilyloxycyclopenten-1-yl]nonan-3-yl]oxysilane is sourced from PubChem (CID 18636604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).