2-[(2R,6R)-2-[(2S)-2-methyl-4-(trimethylsilylmethyl)pent-4-enyl]-3,6-dihydro-2H-pyran-6-yl]acetaldehyde

C17H30O2Si — CID 11460617

IUPAC2-[(2R,6R)-2-[(2S)-2-methyl-4-(trimethylsilylmethyl)pent-4-enyl]-3,6-dihydro-2H-pyran-6-yl]acetaldehyde
SMILESC=C(C[C@H](C)C[C@@H]1CC=C[C@@H](CC=O)O1)C[Si](C)(C)C
InChIInChI=1S/C17H30O2Si/c1-14(11-15(2)13-20(3,4)5)12-17-8-6-7-16(19-17)9-10-18/h6-7,10,14,16-17H,2,8-9,11-13H2,1,3-5H3/t14-,16-,17-/m0/s1
InChIKeyGEDHVIUOYDTQGB-XIRDDKMYSA-N
MW294.51 g/mol
LogP4.60
Rot. Bonds8

About 2-[(2R,6R)-2-[(2S)-2-methyl-4-(trimethylsilylmethyl)pent-4-enyl]-3,6-dihydro-2H-pyran-6-yl]acetaldehyde

2-[(2R,6R)-2-[(2S)-2-methyl-4-(trimethylsilylmethyl)pent-4-enyl]-3,6-dihydro-2H-pyran-6-yl]acetaldehyde (PubChem CID 11460617) has the molecular formula C17H30O2Si and a molecular weight of 294.51 g/mol. Its IUPAC name is 2-[(2R,6R)-2-[(2S)-2-methyl-4-(trimethylsilylmethyl)pent-4-enyl]-3,6-dihydro-2H-pyran-6-yl]acetaldehyde.

Molecular Properties

Compound Name2-[(2R,6R)-2-[(2S)-2-methyl-4-(trimethylsilylmethyl)pent-4-enyl]-3,6-dihydro-2H-pyran-6-yl]acetaldehyde
PubChem CID11460617
Molecular FormulaC17H30O2Si
Molecular Weight294.51 g/mol
Exact Mass294.20
IUPAC Name2-[(2R,6R)-2-[(2S)-2-methyl-4-(trimethylsilylmethyl)pent-4-enyl]-3,6-dihydro-2H-pyran-6-yl]acetaldehyde
SMILESC=C(C[C@H](C)C[C@@H]1CC=C[C@@H](CC=O)O1)C[Si](C)(C)C
InChIInChI=1S/C17H30O2Si/c1-14(11-15(2)13-20(3,4)5)12-17-8-6-7-16(19-17)9-10-18/h6-7,10,14,16-17H,2,8-9,11-13H2,1,3-5H3/t14-,16-,17-/m0/s1
InChIKeyGEDHVIUOYDTQGB-XIRDDKMYSA-N
XLogP4.60
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.51
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1R,2S)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-2-prop-2-enoxycyclohex-3-ene-1-carbaldehyde
CID 134940097
2-[(2R,6R)-2-[(2S)-2,6-dimethylhept-5-enyl]-3,6-dihydro-2H-pyran-6-yl]acetaldehyde
CID 59026894
[(4S)-4-methyl-2-methylidene-5-[(2R,6R)-6-(2-oxoethyl)-3,6-dihydro-2H-pyran-2-yl]pentyl] acetate
CID 59027068
[4-methyl-2-methylidene-5-[6-(2-oxoethyl)-3,6-dihydro-2H-pyran-2-yl]pentyl] acetate
CID 72493553
[(4S)-5-[(2R,6R)-6-ethenyl-3,6-dihydro-2H-pyran-2-yl]-4-methyl-2-methylidenepentyl]-trimethylsilane
CID 11300426
(1S,2S,4S,5R)-2,4-dimethyl-1-trimethylsilyl-8-oxabicyclo[3.2.1]oct-6-en-3-one
CID 100975769
(1R,2R,4R,5S)-2,4-dimethyl-1-trimethylsilyl-8-oxabicyclo[3.2.1]oct-6-en-3-one
CID 100975770
(1S,2R,4R,5R)-2,4-dimethyl-1-trimethylsilyl-8-oxabicyclo[3.2.1]oct-6-en-3-one
CID 100975771
(1R,2S,4S,5S)-2,4-dimethyl-1-trimethylsilyl-8-oxabicyclo[3.2.1]oct-6-en-3-one
CID 100975772
2-[(2R,6R)-2-[(2R)-2-methyl-4-(trimethylsilylmethyl)pent-4-enyl]-3,6-dihydro-2H-pyran-6-yl]acetaldehyde
CID 102304431
2-[(2R)-2-[(2S)-2-methylpent-4-enyl]-3,6-dihydro-2H-pyran-6-yl]acetaldehyde
CID 142221490

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,6R)-2-[(2S)-2-methyl-4-(trimethylsilylmethyl)pent-4-enyl]-3,6-dihydro-2H-pyran-6-yl]acetaldehyde?
The IUPAC name of 2-[(2R,6R)-2-[(2S)-2-methyl-4-(trimethylsilylmethyl)pent-4-enyl]-3,6-dihydro-2H-pyran-6-yl]acetaldehyde (CID 11460617) is 2-[(2R,6R)-2-[(2S)-2-methyl-4-(trimethylsilylmethyl)pent-4-enyl]-3,6-dihydro-2H-pyran-6-yl]acetaldehyde.
What is the SMILES notation for 2-[(2R,6R)-2-[(2S)-2-methyl-4-(trimethylsilylmethyl)pent-4-enyl]-3,6-dihydro-2H-pyran-6-yl]acetaldehyde?
The canonical SMILES for 2-[(2R,6R)-2-[(2S)-2-methyl-4-(trimethylsilylmethyl)pent-4-enyl]-3,6-dihydro-2H-pyran-6-yl]acetaldehyde is C=C(C[C@H](C)C[C@@H]1CC=C[C@@H](CC=O)O1)C[Si](C)(C)C.
What is the InChIKey of 2-[(2R,6R)-2-[(2S)-2-methyl-4-(trimethylsilylmethyl)pent-4-enyl]-3,6-dihydro-2H-pyran-6-yl]acetaldehyde?
The InChIKey is GEDHVIUOYDTQGB-XIRDDKMYSA-N. The full InChI is InChI=1S/C17H30O2Si/c1-14(11-15(2)13-20(3,4)5)12-17-8-6-7-16(19-17)9-10-18/h6-7,10,14,16-17H,2,8-9,11-13H2,1,3-5H3/t14-,16-,17-/m0/s1.
What are the key properties of 2-[(2R,6R)-2-[(2S)-2-methyl-4-(trimethylsilylmethyl)pent-4-enyl]-3,6-dihydro-2H-pyran-6-yl]acetaldehyde?
2-[(2R,6R)-2-[(2S)-2-methyl-4-(trimethylsilylmethyl)pent-4-enyl]-3,6-dihydro-2H-pyran-6-yl]acetaldehyde has a molecular weight of 294.51 g/mol, XLogP of 4.60, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,6R)-2-[(2S)-2-methyl-4-(trimethylsilylmethyl)pent-4-enyl]-3,6-dihydro-2H-pyran-6-yl]acetaldehyde is sourced from PubChem (CID 11460617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).