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

C30H60O2Si2 — CID 19836127

IUPACtert-butyl-dimethyl-[4-methyl-1-(5-prop-2-enyl-4-triethylsilyloxycyclopenten-1-yl)nonan-3-yl]oxysilane
SMILESC=CCC1C(CCC(O[Si](C)(C)C(C)(C)C)C(C)CCCCC)=CCC1O[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
InChIKeyXDNYJXDDZVQLDZ-UHFFFAOYSA-N
MW508.98 g/mol
LogP10.29
Rot. Bonds17

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

tert-butyl-dimethyl-[4-methyl-1-(5-prop-2-enyl-4-triethylsilyloxycyclopenten-1-yl)nonan-3-yl]oxysilane (PubChem CID 19836127) has the molecular formula C30H60O2Si2 and a molecular weight of 508.98 g/mol. Its IUPAC name is tert-butyl-dimethyl-[4-methyl-1-(5-prop-2-enyl-4-triethylsilyloxycyclopenten-1-yl)nonan-3-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[4-methyl-1-(5-prop-2-enyl-4-triethylsilyloxycyclopenten-1-yl)nonan-3-yl]oxysilane
PubChem CID19836127
Molecular FormulaC30H60O2Si2
Molecular Weight508.98 g/mol
Exact Mass508.41
IUPAC Nametert-butyl-dimethyl-[4-methyl-1-(5-prop-2-enyl-4-triethylsilyloxycyclopenten-1-yl)nonan-3-yl]oxysilane
SMILESC=CCC1C(CCC(O[Si](C)(C)C(C)(C)C)C(C)CCCCC)=CCC1O[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
InChIKeyXDNYJXDDZVQLDZ-UHFFFAOYSA-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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Related Compounds

7-[(1R)-2-[3-[tert-butyl(dimethyl)silyl]oxy-4-methylnonyl]-5-hydroxycyclopent-2-en-1-yl]hepta-3,4-dienoic acid
CID 18637010
(1S,2R)-3-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-cyclohexylpropyl]-2-prop-2-enylcyclopent-3-en-1-ol
CID 18636625
3-[3-[tert-butyl(dimethyl)silyl]oxy-3-methyloctyl]-2-prop-2-enylcyclopent-3-en-1-ol
CID 19835946
(Z)-7-[(1R)-2-[3-[tert-butyl(dimethyl)silyl]oxyoctyl]-5-hydroxycyclopent-2-en-1-yl]hept-5-enoic acid
CID 70390007
(2R,3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[4-[1-[tert-butyl(dimethyl)silyl]oxyhexyl]phenyl]-2-prop-2-enylcyclopentan-1-one
CID 146031623
7-[(1R,5S)-2-[(3S)-3-[tert-butyl(dimethyl)silyl]oxyoctyl]-5-hydroxycyclopent-2-en-1-yl]hepta-3,4-dienoic acid
CID 18636971
4-[tert-butyl(dimethyl)silyl]oxy-3-[(E,3R)-3-[tert-butyl(dimethyl)silyl]oxynon-1-enyl]-2-prop-2-enylcyclopentan-1-one
CID 70506808
7-[(1R)-2-[3-[tert-butyl(dimethyl)silyl]oxy-3-methyloctyl]-5-triethylsilyloxycyclopent-2-en-1-yl]hepta-3,4-dienoic acid
CID 18637021
2-[(1R,2R,3R,5S)-2-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylnonyl]-3,5-dihydroxycyclopentyl]acetic acid
CID 18636572
2-[tert-butyl(dimethyl)silyl]oxy-7-[(1R,5S)-2-(4-methylnonyl)-5-(4-phenylbenzoyl)oxycyclopent-2-en-1-yl]heptanoic acid
CID 57265153
tert-butyl-[(4S,7R)-4-[tert-butyl(dimethyl)silyl]oxyhenicos-1-en-7-yl]oxy-dimethylsilane
CID 11215040
tert-butyl-dimethyl-(4-prop-2-enylcyclohexa-1,5-dien-1-yl)oxysilane
CID 91574746

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[4-methyl-1-(5-prop-2-enyl-4-triethylsilyloxycyclopenten-1-yl)nonan-3-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[4-methyl-1-(5-prop-2-enyl-4-triethylsilyloxycyclopenten-1-yl)nonan-3-yl]oxysilane (CID 19836127) is tert-butyl-dimethyl-[4-methyl-1-(5-prop-2-enyl-4-triethylsilyloxycyclopenten-1-yl)nonan-3-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[4-methyl-1-(5-prop-2-enyl-4-triethylsilyloxycyclopenten-1-yl)nonan-3-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[4-methyl-1-(5-prop-2-enyl-4-triethylsilyloxycyclopenten-1-yl)nonan-3-yl]oxysilane is C=CCC1C(CCC(O[Si](C)(C)C(C)(C)C)C(C)CCCCC)=CCC1O[Si](CC)(CC)CC.
What is the InChIKey of tert-butyl-dimethyl-[4-methyl-1-(5-prop-2-enyl-4-triethylsilyloxycyclopenten-1-yl)nonan-3-yl]oxysilane?
The InChIKey is XDNYJXDDZVQLDZ-UHFFFAOYSA-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.
What are the key properties of tert-butyl-dimethyl-[4-methyl-1-(5-prop-2-enyl-4-triethylsilyloxycyclopenten-1-yl)nonan-3-yl]oxysilane?
tert-butyl-dimethyl-[4-methyl-1-(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-(5-prop-2-enyl-4-triethylsilyloxycyclopenten-1-yl)nonan-3-yl]oxysilane is sourced from PubChem (CID 19836127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).