[(Z,2R)-2-[(2R,6R)-6-ethyl-5-methyl-3,6-dihydro-2H-pyran-2-yl]pent-3-en-2-yl]oxymethyl-trimethylstannane

C17H32O2Sn — CID 134880517

IUPAC[(Z,2R)-2-[(2R,6R)-6-ethyl-5-methyl-3,6-dihydro-2H-pyran-2-yl]pent-3-en-2-yl]oxymethyl-trimethylstannane
SMILESC/C=C\[C@@](C)(OC[Sn](C)(C)C)[C@H]1CC=C(C)[C@@H](CC)O1
InChIInChI=1S/C14H23O2.3CH3.Sn/c1-6-10-14(4,15-5)13-9-8-11(3)12(7-2)16-13;;;;/h6,8,10,12-13H,5,7,9H2,1-4H3;3*1H3;/b10-6-;;;;/t12-,13-,14-;;;;/m1..../s1
InChIKeyYGTDQGHCLCKDPC-CHLVBOEWSA-N
MW387.15 g/mol
LogP4.73
Rot. Bonds6

About [(Z,2R)-2-[(2R,6R)-6-ethyl-5-methyl-3,6-dihydro-2H-pyran-2-yl]pent-3-en-2-yl]oxymethyl-trimethylstannane

[(Z,2R)-2-[(2R,6R)-6-ethyl-5-methyl-3,6-dihydro-2H-pyran-2-yl]pent-3-en-2-yl]oxymethyl-trimethylstannane (PubChem CID 134880517) has the molecular formula C17H32O2Sn and a molecular weight of 387.15 g/mol. Its IUPAC name is [(Z,2R)-2-[(2R,6R)-6-ethyl-5-methyl-3,6-dihydro-2H-pyran-2-yl]pent-3-en-2-yl]oxymethyl-trimethylstannane.

Molecular Properties

Compound Name[(Z,2R)-2-[(2R,6R)-6-ethyl-5-methyl-3,6-dihydro-2H-pyran-2-yl]pent-3-en-2-yl]oxymethyl-trimethylstannane
PubChem CID134880517
Molecular FormulaC17H32O2Sn
Molecular Weight387.15 g/mol
Exact Mass388.14
IUPAC Name[(Z,2R)-2-[(2R,6R)-6-ethyl-5-methyl-3,6-dihydro-2H-pyran-2-yl]pent-3-en-2-yl]oxymethyl-trimethylstannane
SMILESC/C=C\[C@@](C)(OC[Sn](C)(C)C)[C@H]1CC=C(C)[C@@H](CC)O1
InChIInChI=1S/C14H23O2.3CH3.Sn/c1-6-10-14(4,15-5)13-9-8-11(3)12(7-2)16-13;;;;/h6,8,10,12-13H,5,7,9H2,1-4H3;3*1H3;/b10-6-;;;;/t12-,13-,14-;;;;/m1..../s1
InChIKeyYGTDQGHCLCKDPC-CHLVBOEWSA-N
XLogP4.73
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.15
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [(Z,2R)-2-[(2R,6R)-6-ethyl-5-methyl-3,6-dihydro-2H-pyran-2-yl]pent-3-en-2-yl]oxymethyl-trimethylstannane with MolForge

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Launch Full Analysis

Related Compounds

(2E)-1-[(3S)-3,7-dimethylocta-1,6-dien-3-yl]oxy-3,7-dimethylocta-2,6-diene
CID 162880600
(2S,5R)-5-but-3-enyl-2-(methoxymethyl)-3,5-dimethyl-2H-furan
CID 11469648
(Z,2R)-2-[(2R,6R)-6-ethyl-5-methyl-3,6-dihydro-2H-pyran-2-yl]pent-3-en-2-ol
CID 45094981
(2R,6R)-6-(methoxymethyl)-2-propan-2-yl-3,6-dihydro-2H-pyran
CID 45096469
(1S,4R,5R)-3-ethenyl-4-methoxy-1,5-dimethyl-8-oxabicyclo[3.2.1]octa-2,6-diene
CID 134845349
(2S,6R)-6-(methoxymethyl)-2-propan-2-yl-3,6-dihydro-2H-pyran
CID 134995787
(2S,3S)-3-ethenyl-2-methyl-3-prop-2-enoxy-2,6-dihydropyran
CID 10535383
3-(2-Ethoxyethoxy)-3,7-dimethylocta-1,6-diene
CID 57288719
(2E)-1-(3,7-dimethylocta-1,6-dien-3-yloxy)-3,7-dimethylocta-2,6-diene
CID 57474222
(3Z,5R,6S,7S,8E)-6,7-dimethoxy-3,5-dimethyl-1-oxacyclotetradeca-3,8-diene
CID 57586782
(E)-2,2,7,7-tetramethyl-5,6-bis[(2-methylpropan-2-yl)oxy]oct-3-ene
CID 58403511
(2R,3R)-2,3,6-trimethyl-6-(4-methylpent-3-enyl)-2,3-dihydropyran
CID 59509303

Frequently Asked Questions

What is the IUPAC name of [(Z,2R)-2-[(2R,6R)-6-ethyl-5-methyl-3,6-dihydro-2H-pyran-2-yl]pent-3-en-2-yl]oxymethyl-trimethylstannane?
The IUPAC name of [(Z,2R)-2-[(2R,6R)-6-ethyl-5-methyl-3,6-dihydro-2H-pyran-2-yl]pent-3-en-2-yl]oxymethyl-trimethylstannane (CID 134880517) is [(Z,2R)-2-[(2R,6R)-6-ethyl-5-methyl-3,6-dihydro-2H-pyran-2-yl]pent-3-en-2-yl]oxymethyl-trimethylstannane.
What is the SMILES notation for [(Z,2R)-2-[(2R,6R)-6-ethyl-5-methyl-3,6-dihydro-2H-pyran-2-yl]pent-3-en-2-yl]oxymethyl-trimethylstannane?
The canonical SMILES for [(Z,2R)-2-[(2R,6R)-6-ethyl-5-methyl-3,6-dihydro-2H-pyran-2-yl]pent-3-en-2-yl]oxymethyl-trimethylstannane is C/C=C\[C@@](C)(OC[Sn](C)(C)C)[C@H]1CC=C(C)[C@@H](CC)O1.
What is the InChIKey of [(Z,2R)-2-[(2R,6R)-6-ethyl-5-methyl-3,6-dihydro-2H-pyran-2-yl]pent-3-en-2-yl]oxymethyl-trimethylstannane?
The InChIKey is YGTDQGHCLCKDPC-CHLVBOEWSA-N. The full InChI is InChI=1S/C14H23O2.3CH3.Sn/c1-6-10-14(4,15-5)13-9-8-11(3)12(7-2)16-13;;;;/h6,8,10,12-13H,5,7,9H2,1-4H3;3*1H3;/b10-6-;;;;/t12-,13-,14-;;;;/m1..../s1.
What are the key properties of [(Z,2R)-2-[(2R,6R)-6-ethyl-5-methyl-3,6-dihydro-2H-pyran-2-yl]pent-3-en-2-yl]oxymethyl-trimethylstannane?
[(Z,2R)-2-[(2R,6R)-6-ethyl-5-methyl-3,6-dihydro-2H-pyran-2-yl]pent-3-en-2-yl]oxymethyl-trimethylstannane has a molecular weight of 387.15 g/mol, XLogP of 4.73, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z,2R)-2-[(2R,6R)-6-ethyl-5-methyl-3,6-dihydro-2H-pyran-2-yl]pent-3-en-2-yl]oxymethyl-trimethylstannane is sourced from PubChem (CID 134880517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).