tert-butyl 3-[2-[tert-butyl(dimethyl)silyl]oxy-4-(hydroxymethyl)cyclopentyl]propanoate

C19H38O4Si — CID 123949510

IUPACtert-butyl 3-[2-[tert-butyl(dimethyl)silyl]oxy-4-(hydroxymethyl)cyclopentyl]propanoate
SMILESCC(C)(C)OC(=O)CCC1CC(CO)CC1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H38O4Si/c1-18(2,3)22-17(21)10-9-15-11-14(13-20)12-16(15)23-24(7,8)19(4,5)6/h14-16,20H,9-13H2,1-8H3
InChIKeyNXZRGPOKEMZVJS-UHFFFAOYSA-N
MW358.60 g/mol
LogP4.52
Rot. Bonds6

About tert-butyl 3-[2-[tert-butyl(dimethyl)silyl]oxy-4-(hydroxymethyl)cyclopentyl]propanoate

tert-butyl 3-[2-[tert-butyl(dimethyl)silyl]oxy-4-(hydroxymethyl)cyclopentyl]propanoate (PubChem CID 123949510) has the molecular formula C19H38O4Si and a molecular weight of 358.60 g/mol. Its IUPAC name is tert-butyl 3-[2-[tert-butyl(dimethyl)silyl]oxy-4-(hydroxymethyl)cyclopentyl]propanoate.

Molecular Properties

Compound Nametert-butyl 3-[2-[tert-butyl(dimethyl)silyl]oxy-4-(hydroxymethyl)cyclopentyl]propanoate
PubChem CID123949510
Molecular FormulaC19H38O4Si
Molecular Weight358.60 g/mol
Exact Mass358.25
IUPAC Nametert-butyl 3-[2-[tert-butyl(dimethyl)silyl]oxy-4-(hydroxymethyl)cyclopentyl]propanoate
SMILESCC(C)(C)OC(=O)CCC1CC(CO)CC1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H38O4Si/c1-18(2,3)22-17(21)10-9-15-11-14(13-20)12-16(15)23-24(7,8)19(4,5)6/h14-16,20H,9-13H2,1-8H3
InChIKeyNXZRGPOKEMZVJS-UHFFFAOYSA-N
XLogP4.52
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.60
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4aR,6R,7S,7aS)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-hydroxy-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyran-3-one
CID 10685646
tert-butyl 2-[(1S,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxycyclopentyl]acetate
CID 21600989
tert-butyl 2-[(1R,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxycyclopentyl]acetate
CID 21600990
Methyl 7-[3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-2-[2-(oxiran-2-yl)ethyl]cyclopentyl]heptanoate
CID 9867273
methyl 7-[(1R,2R,3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-2-[2-(oxiran-2-yl)ethyl]cyclopentyl]heptanoate
CID 11796817
2-[(1R,2R,3R,5S)-2-[3-[tert-butyl(dimethyl)silyl]oxy-3-cyclohexylbutyl]-3,5-dihydroxycyclopentyl]acetic acid
CID 18636558
2-[(1R,2R,3R,5S)-2-[3-[tert-butyl(dimethyl)silyl]oxy-3-methyloctyl]-3,5-dihydroxycyclopentyl]acetic acid
CID 18636559
2-[(1R,2R,3R,5S)-2-[3-[tert-butyl(dimethyl)silyl]oxy-4-methylnonyl]-3,5-dihydroxycyclopentyl]acetic acid
CID 18636561
2-[(1R,2R,3R,5S)-2-[3-[tert-butyl(dimethyl)silyl]oxy-4-methyloctyl]-3,5-dihydroxycyclopentyl]acetic acid
CID 18636562
2-[(1R,2R,3R,5S)-2-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-cyclohexylbutyl]-3,5-dihydroxycyclopentyl]acetic acid
CID 18636569
2-[(1R,2R,3R,5S)-2-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-methyloctyl]-3,5-dihydroxycyclopentyl]acetic acid
CID 18636570
2-[(1R,2R,3R,5S)-2-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylnonyl]-3,5-dihydroxycyclopentyl]acetic acid
CID 18636572

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[2-[tert-butyl(dimethyl)silyl]oxy-4-(hydroxymethyl)cyclopentyl]propanoate?
The IUPAC name of tert-butyl 3-[2-[tert-butyl(dimethyl)silyl]oxy-4-(hydroxymethyl)cyclopentyl]propanoate (CID 123949510) is tert-butyl 3-[2-[tert-butyl(dimethyl)silyl]oxy-4-(hydroxymethyl)cyclopentyl]propanoate.
What is the SMILES notation for tert-butyl 3-[2-[tert-butyl(dimethyl)silyl]oxy-4-(hydroxymethyl)cyclopentyl]propanoate?
The canonical SMILES for tert-butyl 3-[2-[tert-butyl(dimethyl)silyl]oxy-4-(hydroxymethyl)cyclopentyl]propanoate is CC(C)(C)OC(=O)CCC1CC(CO)CC1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl 3-[2-[tert-butyl(dimethyl)silyl]oxy-4-(hydroxymethyl)cyclopentyl]propanoate?
The InChIKey is NXZRGPOKEMZVJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38O4Si/c1-18(2,3)22-17(21)10-9-15-11-14(13-20)12-16(15)23-24(7,8)19(4,5)6/h14-16,20H,9-13H2,1-8H3.
What are the key properties of tert-butyl 3-[2-[tert-butyl(dimethyl)silyl]oxy-4-(hydroxymethyl)cyclopentyl]propanoate?
tert-butyl 3-[2-[tert-butyl(dimethyl)silyl]oxy-4-(hydroxymethyl)cyclopentyl]propanoate has a molecular weight of 358.60 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[2-[tert-butyl(dimethyl)silyl]oxy-4-(hydroxymethyl)cyclopentyl]propanoate is sourced from PubChem (CID 123949510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).