(1S)-1-[(4R)-4-[tert-butyl(dimethyl)silyl]oxy-3,3,4-trimethoxycyclobuten-1-yl]ethanol

C15H30O5Si — CID 139184179

IUPAC(1S)-1-[(4R)-4-[tert-butyl(dimethyl)silyl]oxy-3,3,4-trimethoxycyclobuten-1-yl]ethanol
SMILESCOC1(OC)C=C([C@H](C)O)[C@@]1(OC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H30O5Si/c1-11(16)12-10-14(17-5,18-6)15(12,19-7)20-21(8,9)13(2,3)4/h10-11,16H,1-9H3/t11-,15+/m0/s1
InChIKeyFVRFQLNDDGDUNM-XHDPSFHLSA-N
MW318.49 g/mol
LogP2.66
Rot. Bonds6

About (1S)-1-[(4R)-4-[tert-butyl(dimethyl)silyl]oxy-3,3,4-trimethoxycyclobuten-1-yl]ethanol

(1S)-1-[(4R)-4-[tert-butyl(dimethyl)silyl]oxy-3,3,4-trimethoxycyclobuten-1-yl]ethanol (PubChem CID 139184179) has the molecular formula C15H30O5Si and a molecular weight of 318.49 g/mol. Its IUPAC name is (1S)-1-[(4R)-4-[tert-butyl(dimethyl)silyl]oxy-3,3,4-trimethoxycyclobuten-1-yl]ethanol.

Molecular Properties

Compound Name(1S)-1-[(4R)-4-[tert-butyl(dimethyl)silyl]oxy-3,3,4-trimethoxycyclobuten-1-yl]ethanol
PubChem CID139184179
Molecular FormulaC15H30O5Si
Molecular Weight318.49 g/mol
Exact Mass318.19
IUPAC Name(1S)-1-[(4R)-4-[tert-butyl(dimethyl)silyl]oxy-3,3,4-trimethoxycyclobuten-1-yl]ethanol
SMILESCOC1(OC)C=C([C@H](C)O)[C@@]1(OC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H30O5Si/c1-11(16)12-10-14(17-5,18-6)15(12,19-7)20-21(8,9)13(2,3)4/h10-11,16H,1-9H3/t11-,15+/m0/s1
InChIKeyFVRFQLNDDGDUNM-XHDPSFHLSA-N
XLogP2.66
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.49
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(1S,4S,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-4-(methoxymethoxy)cyclohex-2-en-1-ol
CID 134836901
(2S,3S)-2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-6-methoxy-3,6-dihydro-2H-pyran-3-ol
CID 11120199
(2S,3R)-2-[2-[tert-butyl(dimethyl)silyl]oxypropyl]-6-methoxy-3,6-dihydro-2H-pyran-3-ol
CID 11822806
(2S,3S)-2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-6-methoxy-3,6-dihydro-2H-pyran-3-ol
CID 11822807
(E)-3-[(4S,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]but-2-en-1-ol
CID 16756355
(1Z,3R)-1-[(4S,6R)-6-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]hexa-1,5-dien-3-ol
CID 25058807

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[(4R)-4-[tert-butyl(dimethyl)silyl]oxy-3,3,4-trimethoxycyclobuten-1-yl]ethanol?
The IUPAC name of (1S)-1-[(4R)-4-[tert-butyl(dimethyl)silyl]oxy-3,3,4-trimethoxycyclobuten-1-yl]ethanol (CID 139184179) is (1S)-1-[(4R)-4-[tert-butyl(dimethyl)silyl]oxy-3,3,4-trimethoxycyclobuten-1-yl]ethanol.
What is the SMILES notation for (1S)-1-[(4R)-4-[tert-butyl(dimethyl)silyl]oxy-3,3,4-trimethoxycyclobuten-1-yl]ethanol?
The canonical SMILES for (1S)-1-[(4R)-4-[tert-butyl(dimethyl)silyl]oxy-3,3,4-trimethoxycyclobuten-1-yl]ethanol is COC1(OC)C=C([C@H](C)O)[C@@]1(OC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (1S)-1-[(4R)-4-[tert-butyl(dimethyl)silyl]oxy-3,3,4-trimethoxycyclobuten-1-yl]ethanol?
The InChIKey is FVRFQLNDDGDUNM-XHDPSFHLSA-N. The full InChI is InChI=1S/C15H30O5Si/c1-11(16)12-10-14(17-5,18-6)15(12,19-7)20-21(8,9)13(2,3)4/h10-11,16H,1-9H3/t11-,15+/m0/s1.
What are the key properties of (1S)-1-[(4R)-4-[tert-butyl(dimethyl)silyl]oxy-3,3,4-trimethoxycyclobuten-1-yl]ethanol?
(1S)-1-[(4R)-4-[tert-butyl(dimethyl)silyl]oxy-3,3,4-trimethoxycyclobuten-1-yl]ethanol has a molecular weight of 318.49 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[(4R)-4-[tert-butyl(dimethyl)silyl]oxy-3,3,4-trimethoxycyclobuten-1-yl]ethanol is sourced from PubChem (CID 139184179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).