(E)-3-methyl-1-[(2R,3R,5R)-3-prop-1-en-2-yl-5-(trityloxymethyl)oxolan-2-yl]pent-3-en-2-ol

C33H38O3 — CID 10838517

IUPAC(E)-3-methyl-1-[(2R,3R,5R)-3-prop-1-en-2-yl-5-(trityloxymethyl)oxolan-2-yl]pent-3-en-2-ol
SMILESC=C(C)[C@H]1C[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)O[C@@H]1CC(O)/C(C)=C/C
InChIInChI=1S/C33H38O3/c1-5-25(4)31(34)22-32-30(24(2)3)21-29(36-32)23-35-33(26-15-9-6-10-16-26,27-17-11-7-12-18-27)28-19-13-8-14-20-28/h5-20,29-32,34H,2,21-23H2,1,3-4H3/b25-5+/t29-,30-,31?,32-/m1/s1
InChIKeyYSLJZJOWUSUKHL-ZWGKTASNSA-N
MW482.66 g/mol
LogP7.06
Rot. Bonds10

About (E)-3-methyl-1-[(2R,3R,5R)-3-prop-1-en-2-yl-5-(trityloxymethyl)oxolan-2-yl]pent-3-en-2-ol

(E)-3-methyl-1-[(2R,3R,5R)-3-prop-1-en-2-yl-5-(trityloxymethyl)oxolan-2-yl]pent-3-en-2-ol (PubChem CID 10838517) has the molecular formula C33H38O3 and a molecular weight of 482.66 g/mol. Its IUPAC name is (E)-3-methyl-1-[(2R,3R,5R)-3-prop-1-en-2-yl-5-(trityloxymethyl)oxolan-2-yl]pent-3-en-2-ol.

Molecular Properties

Compound Name(E)-3-methyl-1-[(2R,3R,5R)-3-prop-1-en-2-yl-5-(trityloxymethyl)oxolan-2-yl]pent-3-en-2-ol
PubChem CID10838517
Molecular FormulaC33H38O3
Molecular Weight482.66 g/mol
Exact Mass482.28
IUPAC Name(E)-3-methyl-1-[(2R,3R,5R)-3-prop-1-en-2-yl-5-(trityloxymethyl)oxolan-2-yl]pent-3-en-2-ol
SMILESC=C(C)[C@H]1C[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)O[C@@H]1CC(O)/C(C)=C/C
InChIInChI=1S/C33H38O3/c1-5-25(4)31(34)22-32-30(24(2)3)21-29(36-32)23-35-33(26-15-9-6-10-16-26,27-17-11-7-12-18-27)28-19-13-8-14-20-28/h5-20,29-32,34H,2,21-23H2,1,3-4H3/b25-5+/t29-,30-,31?,32-/m1/s1
InChIKeyYSLJZJOWUSUKHL-ZWGKTASNSA-N
XLogP7.06
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.66
LogP ≤ 57.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-3-methyl-1-[(2R,3R,5R)-3-prop-1-en-2-yl-5-(trityloxymethyl)oxolan-2-yl]pent-3-en-2-ol?
The IUPAC name of (E)-3-methyl-1-[(2R,3R,5R)-3-prop-1-en-2-yl-5-(trityloxymethyl)oxolan-2-yl]pent-3-en-2-ol (CID 10838517) is (E)-3-methyl-1-[(2R,3R,5R)-3-prop-1-en-2-yl-5-(trityloxymethyl)oxolan-2-yl]pent-3-en-2-ol.
What is the SMILES notation for (E)-3-methyl-1-[(2R,3R,5R)-3-prop-1-en-2-yl-5-(trityloxymethyl)oxolan-2-yl]pent-3-en-2-ol?
The canonical SMILES for (E)-3-methyl-1-[(2R,3R,5R)-3-prop-1-en-2-yl-5-(trityloxymethyl)oxolan-2-yl]pent-3-en-2-ol is C=C(C)[C@H]1C[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)O[C@@H]1CC(O)/C(C)=C/C.
What is the InChIKey of (E)-3-methyl-1-[(2R,3R,5R)-3-prop-1-en-2-yl-5-(trityloxymethyl)oxolan-2-yl]pent-3-en-2-ol?
The InChIKey is YSLJZJOWUSUKHL-ZWGKTASNSA-N. The full InChI is InChI=1S/C33H38O3/c1-5-25(4)31(34)22-32-30(24(2)3)21-29(36-32)23-35-33(26-15-9-6-10-16-26,27-17-11-7-12-18-27)28-19-13-8-14-20-28/h5-20,29-32,34H,2,21-23H2,1,3-4H3/b25-5+/t29-,30-,31?,32-/m1/s1.
What are the key properties of (E)-3-methyl-1-[(2R,3R,5R)-3-prop-1-en-2-yl-5-(trityloxymethyl)oxolan-2-yl]pent-3-en-2-ol?
(E)-3-methyl-1-[(2R,3R,5R)-3-prop-1-en-2-yl-5-(trityloxymethyl)oxolan-2-yl]pent-3-en-2-ol has a molecular weight of 482.66 g/mol, XLogP of 7.06, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-methyl-1-[(2R,3R,5R)-3-prop-1-en-2-yl-5-(trityloxymethyl)oxolan-2-yl]pent-3-en-2-ol is sourced from PubChem (CID 10838517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).