(3Z,5S)-3-(1-iodoethylidene)-5-(trityloxymethyl)oxolan-2-one

C26H23IO3 — CID 102593831

IUPAC(3Z,5S)-3-(1-iodoethylidene)-5-(trityloxymethyl)oxolan-2-one
SMILESC/C(I)=C1\C[C@@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)OC1=O
InChIInChI=1S/C26H23IO3/c1-19(27)24-17-23(30-25(24)28)18-29-26(20-11-5-2-6-12-20,21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-16,23H,17-18H2,1H3/b24-19-/t23-/m0/s1
InChIKeyZIAKYASONSVWRH-PMKMQUDQSA-N
MW510.37 g/mol
LogP6.02
Rot. Bonds6

About (3Z,5S)-3-(1-iodoethylidene)-5-(trityloxymethyl)oxolan-2-one

(3Z,5S)-3-(1-iodoethylidene)-5-(trityloxymethyl)oxolan-2-one (PubChem CID 102593831) has the molecular formula C26H23IO3 and a molecular weight of 510.37 g/mol. Its IUPAC name is (3Z,5S)-3-(1-iodoethylidene)-5-(trityloxymethyl)oxolan-2-one.

Molecular Properties

Compound Name(3Z,5S)-3-(1-iodoethylidene)-5-(trityloxymethyl)oxolan-2-one
PubChem CID102593831
Molecular FormulaC26H23IO3
Molecular Weight510.37 g/mol
Exact Mass510.07
IUPAC Name(3Z,5S)-3-(1-iodoethylidene)-5-(trityloxymethyl)oxolan-2-one
SMILESC/C(I)=C1\C[C@@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)OC1=O
InChIInChI=1S/C26H23IO3/c1-19(27)24-17-23(30-25(24)28)18-29-26(20-11-5-2-6-12-20,21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-16,23H,17-18H2,1H3/b24-19-/t23-/m0/s1
InChIKeyZIAKYASONSVWRH-PMKMQUDQSA-N
XLogP6.02
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.37
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

(3S,5S)-3-hydroxy-5-(trityloxymethyl)oxolan-2-one
CID 15478722
5-(trityloxymethyl)-1,3-oxazolidin-2-one
CID 10109102
(3R,5S)-3-trimethylsilyloxy-5-(trityloxymethyl)oxolan-2-one
CID 11155064
4-(trityloxymethyl)trioxolane
CID 19758940
(5R)-5-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]oxolan-2-one
CID 10786507
(5S)-3-(benzenesulfinyl)-3-fluoro-5-(trityloxymethyl)oxolan-2-one
CID 11364066
(2R,3R,5R)-2-methoxy-5-(trityloxymethyl)oxolan-3-ol
CID 178184681
2-[(4R,6S)-2,2-dimethyl-6-(trityloxymethyl)-1,3-dioxan-4-yl]acetic acid
CID 18716197
(5S)-3-(benzenesulfinyl)-5-(trityloxymethyl)oxolan-2-one
CID 11202502
(3S,4S,5S)-3,4-dimethyl-5-(trityloxymethyl)oxolan-2-one
CID 11632443
(2S)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]oxirane
CID 71608137
(3S,4R,5R)-3,4-dimethyl-5-(trityloxymethyl)oxolan-2-one
CID 10949057

Frequently Asked Questions

What is the IUPAC name of (3Z,5S)-3-(1-iodoethylidene)-5-(trityloxymethyl)oxolan-2-one?
The IUPAC name of (3Z,5S)-3-(1-iodoethylidene)-5-(trityloxymethyl)oxolan-2-one (CID 102593831) is (3Z,5S)-3-(1-iodoethylidene)-5-(trityloxymethyl)oxolan-2-one.
What is the SMILES notation for (3Z,5S)-3-(1-iodoethylidene)-5-(trityloxymethyl)oxolan-2-one?
The canonical SMILES for (3Z,5S)-3-(1-iodoethylidene)-5-(trityloxymethyl)oxolan-2-one is C/C(I)=C1\C[C@@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)OC1=O.
What is the InChIKey of (3Z,5S)-3-(1-iodoethylidene)-5-(trityloxymethyl)oxolan-2-one?
The InChIKey is ZIAKYASONSVWRH-PMKMQUDQSA-N. The full InChI is InChI=1S/C26H23IO3/c1-19(27)24-17-23(30-25(24)28)18-29-26(20-11-5-2-6-12-20,21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-16,23H,17-18H2,1H3/b24-19-/t23-/m0/s1.
What are the key properties of (3Z,5S)-3-(1-iodoethylidene)-5-(trityloxymethyl)oxolan-2-one?
(3Z,5S)-3-(1-iodoethylidene)-5-(trityloxymethyl)oxolan-2-one has a molecular weight of 510.37 g/mol, XLogP of 6.02, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5S)-3-(1-iodoethylidene)-5-(trityloxymethyl)oxolan-2-one is sourced from PubChem (CID 102593831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).