(1R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-(phenylmethoxymethyl)cyclopent-2-en-1-ol

C19H30O3Si — CID 10947637

IUPAC(1R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-(phenylmethoxymethyl)cyclopent-2-en-1-ol
SMILESCC(C)(C)[Si](C)(C)O[C@H]1C=C[C@@H](O)[C@@H]1COCc1ccccc1
InChIInChI=1S/C19H30O3Si/c1-19(2,3)23(4,5)22-18-12-11-17(20)16(18)14-21-13-15-9-7-6-8-10-15/h6-12,16-18,20H,13-14H2,1-5H3/t16-,17+,18-/m0/s1
InChIKeyRKNOMYMTXRFASB-KSZLIROESA-N
MW334.53 g/mol
LogP4.14
Rot. Bonds6

About (1R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-(phenylmethoxymethyl)cyclopent-2-en-1-ol

(1R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-(phenylmethoxymethyl)cyclopent-2-en-1-ol (PubChem CID 10947637) has the molecular formula C19H30O3Si and a molecular weight of 334.53 g/mol. Its IUPAC name is (1R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-(phenylmethoxymethyl)cyclopent-2-en-1-ol.

Molecular Properties

Compound Name(1R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-(phenylmethoxymethyl)cyclopent-2-en-1-ol
PubChem CID10947637
Molecular FormulaC19H30O3Si
Molecular Weight334.53 g/mol
Exact Mass334.20
IUPAC Name(1R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-(phenylmethoxymethyl)cyclopent-2-en-1-ol
SMILESCC(C)(C)[Si](C)(C)O[C@H]1C=C[C@@H](O)[C@@H]1COCc1ccccc1
InChIInChI=1S/C19H30O3Si/c1-19(2,3)23(4,5)22-18-12-11-17(20)16(18)14-21-13-15-9-7-6-8-10-15/h6-12,16-18,20H,13-14H2,1-5H3/t16-,17+,18-/m0/s1
InChIKeyRKNOMYMTXRFASB-KSZLIROESA-N
XLogP4.14
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.53
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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 (1R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-(phenylmethoxymethyl)cyclopent-2-en-1-ol?
The IUPAC name of (1R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-(phenylmethoxymethyl)cyclopent-2-en-1-ol (CID 10947637) is (1R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-(phenylmethoxymethyl)cyclopent-2-en-1-ol.
What is the SMILES notation for (1R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-(phenylmethoxymethyl)cyclopent-2-en-1-ol?
The canonical SMILES for (1R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-(phenylmethoxymethyl)cyclopent-2-en-1-ol is CC(C)(C)[Si](C)(C)O[C@H]1C=C[C@@H](O)[C@@H]1COCc1ccccc1.
What is the InChIKey of (1R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-(phenylmethoxymethyl)cyclopent-2-en-1-ol?
The InChIKey is RKNOMYMTXRFASB-KSZLIROESA-N. The full InChI is InChI=1S/C19H30O3Si/c1-19(2,3)23(4,5)22-18-12-11-17(20)16(18)14-21-13-15-9-7-6-8-10-15/h6-12,16-18,20H,13-14H2,1-5H3/t16-,17+,18-/m0/s1.
What are the key properties of (1R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-(phenylmethoxymethyl)cyclopent-2-en-1-ol?
(1R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-(phenylmethoxymethyl)cyclopent-2-en-1-ol has a molecular weight of 334.53 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-(phenylmethoxymethyl)cyclopent-2-en-1-ol is sourced from PubChem (CID 10947637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).