[(E)-4-methoxy-4-[(2S,3R)-3-[(2R,3S)-3-methoxypentan-2-yl]oxiran-2-yl]-3-methylbut-1-enyl]stannane

C14H28O3Sn — CID 175755188

IUPAC[(E)-4-methoxy-4-[(2S,3R)-3-[(2R,3S)-3-methoxypentan-2-yl]oxiran-2-yl]-3-methylbut-1-enyl]stannane
SMILESCC[C@H](OC)[C@@H](C)[C@H]1O[C@@H]1C(OC)C(C)/C=C/[SnH3]
InChIInChI=1S/C14H25O3.Sn.3H/c1-7-9(3)12(16-6)14-13(17-14)10(4)11(8-2)15-5;;;;/h1,7,9-14H,8H2,2-6H3;;;;/t9?,10-,11+,12?,13-,14-;;;;/m1..../s1
InChIKeyLXPNJNNOIOHVOV-XUVYAFQVSA-N
MW363.09 g/mol
LogP1.35
Rot. Bonds8

About [(E)-4-methoxy-4-[(2S,3R)-3-[(2R,3S)-3-methoxypentan-2-yl]oxiran-2-yl]-3-methylbut-1-enyl]stannane

[(E)-4-methoxy-4-[(2S,3R)-3-[(2R,3S)-3-methoxypentan-2-yl]oxiran-2-yl]-3-methylbut-1-enyl]stannane (PubChem CID 175755188) has the molecular formula C14H28O3Sn and a molecular weight of 363.09 g/mol. Its IUPAC name is [(E)-4-methoxy-4-[(2S,3R)-3-[(2R,3S)-3-methoxypentan-2-yl]oxiran-2-yl]-3-methylbut-1-enyl]stannane.

Molecular Properties

Compound Name[(E)-4-methoxy-4-[(2S,3R)-3-[(2R,3S)-3-methoxypentan-2-yl]oxiran-2-yl]-3-methylbut-1-enyl]stannane
PubChem CID175755188
Molecular FormulaC14H28O3Sn
Molecular Weight363.09 g/mol
Exact Mass364.11
IUPAC Name[(E)-4-methoxy-4-[(2S,3R)-3-[(2R,3S)-3-methoxypentan-2-yl]oxiran-2-yl]-3-methylbut-1-enyl]stannane
SMILESCC[C@H](OC)[C@@H](C)[C@H]1O[C@@H]1C(OC)C(C)/C=C/[SnH3]
InChIInChI=1S/C14H25O3.Sn.3H/c1-7-9(3)12(16-6)14-13(17-14)10(4)11(8-2)15-5;;;;/h1,7,9-14H,8H2,2-6H3;;;;/t9?,10-,11+,12?,13-,14-;;;;/m1..../s1
InChIKeyLXPNJNNOIOHVOV-XUVYAFQVSA-N
XLogP1.35
TPSA30.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.09
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(E)-4-methoxy-4-[(2S,3R)-3-[(2R,3S)-3-methoxypentan-2-yl]oxiran-2-yl]-3-methylbut-1-enyl]stannane?
The IUPAC name of [(E)-4-methoxy-4-[(2S,3R)-3-[(2R,3S)-3-methoxypentan-2-yl]oxiran-2-yl]-3-methylbut-1-enyl]stannane (CID 175755188) is [(E)-4-methoxy-4-[(2S,3R)-3-[(2R,3S)-3-methoxypentan-2-yl]oxiran-2-yl]-3-methylbut-1-enyl]stannane.
What is the SMILES notation for [(E)-4-methoxy-4-[(2S,3R)-3-[(2R,3S)-3-methoxypentan-2-yl]oxiran-2-yl]-3-methylbut-1-enyl]stannane?
The canonical SMILES for [(E)-4-methoxy-4-[(2S,3R)-3-[(2R,3S)-3-methoxypentan-2-yl]oxiran-2-yl]-3-methylbut-1-enyl]stannane is CC[C@H](OC)[C@@H](C)[C@H]1O[C@@H]1C(OC)C(C)/C=C/[SnH3].
What is the InChIKey of [(E)-4-methoxy-4-[(2S,3R)-3-[(2R,3S)-3-methoxypentan-2-yl]oxiran-2-yl]-3-methylbut-1-enyl]stannane?
The InChIKey is LXPNJNNOIOHVOV-XUVYAFQVSA-N. The full InChI is InChI=1S/C14H25O3.Sn.3H/c1-7-9(3)12(16-6)14-13(17-14)10(4)11(8-2)15-5;;;;/h1,7,9-14H,8H2,2-6H3;;;;/t9?,10-,11+,12?,13-,14-;;;;/m1..../s1.
What are the key properties of [(E)-4-methoxy-4-[(2S,3R)-3-[(2R,3S)-3-methoxypentan-2-yl]oxiran-2-yl]-3-methylbut-1-enyl]stannane?
[(E)-4-methoxy-4-[(2S,3R)-3-[(2R,3S)-3-methoxypentan-2-yl]oxiran-2-yl]-3-methylbut-1-enyl]stannane has a molecular weight of 363.09 g/mol, XLogP of 1.35, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-4-methoxy-4-[(2S,3R)-3-[(2R,3S)-3-methoxypentan-2-yl]oxiran-2-yl]-3-methylbut-1-enyl]stannane is sourced from PubChem (CID 175755188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).