7-[6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,6-dihydro-2H-pyran-2-yl]-2-(methoxymethoxy)-6-methyl-4-methylideneheptanal

C24H44O5Si — CID 22643613

IUPAC7-[6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,6-dihydro-2H-pyran-2-yl]-2-(methoxymethoxy)-6-methyl-4-methylideneheptanal
SMILESC=C(CC(C)CC1CC=CC(CCO[Si](C)(C)C(C)(C)C)O1)CC(C=O)OCOC
InChIInChI=1S/C24H44O5Si/c1-19(14-20(2)16-23(17-25)27-18-26-6)15-22-11-9-10-21(29-22)12-13-28-30(7,8)24(3,4)5/h9-10,17,19,21-23H,2,11-16,18H2,1,3-8H3
InChIKeyQBWOIEIZSXKEFI-UHFFFAOYSA-N
MW440.70 g/mol
LogP5.66
Rot. Bonds14

About 7-[6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,6-dihydro-2H-pyran-2-yl]-2-(methoxymethoxy)-6-methyl-4-methylideneheptanal

7-[6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,6-dihydro-2H-pyran-2-yl]-2-(methoxymethoxy)-6-methyl-4-methylideneheptanal (PubChem CID 22643613) has the molecular formula C24H44O5Si and a molecular weight of 440.70 g/mol. Its IUPAC name is 7-[6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,6-dihydro-2H-pyran-2-yl]-2-(methoxymethoxy)-6-methyl-4-methylideneheptanal.

Molecular Properties

Compound Name7-[6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,6-dihydro-2H-pyran-2-yl]-2-(methoxymethoxy)-6-methyl-4-methylideneheptanal
PubChem CID22643613
Molecular FormulaC24H44O5Si
Molecular Weight440.70 g/mol
Exact Mass440.30
IUPAC Name7-[6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,6-dihydro-2H-pyran-2-yl]-2-(methoxymethoxy)-6-methyl-4-methylideneheptanal
SMILESC=C(CC(C)CC1CC=CC(CCO[Si](C)(C)C(C)(C)C)O1)CC(C=O)OCOC
InChIInChI=1S/C24H44O5Si/c1-19(14-20(2)16-23(17-25)27-18-26-6)15-22-11-9-10-21(29-22)12-13-28-30(7,8)24(3,4)5/h9-10,17,19,21-23H,2,11-16,18H2,1,3-8H3
InChIKeyQBWOIEIZSXKEFI-UHFFFAOYSA-N
XLogP5.66
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.70
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2S,6S)-7-[(2R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,6-dihydro-2H-pyran-2-yl]-2-(methoxymethoxy)-6-methyl-4-methylideneheptanal
CID 11189904
(2S,6S)-7-[(2R,6R)-6-but-2-ynyl-3,6-dihydro-2H-pyran-2-yl]-2-(methoxymethoxy)-6-methyl-4-methylideneheptanal
CID 59105894
methyl 4-[(2R,6R)-2-[(2S,6S)-6-(methoxymethoxy)-2-methyl-4-methylidene-7-oxoheptyl]-3,6-dihydro-2H-pyran-6-yl]but-2-ynoate
CID 140465133
(2R,5S,7S,8E,10E,12E,14S,16R)-5-[tert-butyl(dimethyl)silyl]oxy-7,18-dimethoxy-2,8,14,16-tetramethyl-17-oxooctadeca-8,10,12-trienal
CID 10864294
(1R,4R,5R,9R,11S,12S)-11-[tert-butyl(dimethyl)silyl]oxy-1-methoxy-8,12-dimethyl-5-propan-2-yl-15-oxatricyclo[10.2.1.04,9]pentadeca-7,13-dien-2-one
CID 10961339
(2S)-2-[(1R,5S)-1,8-dimethylspiro[4.5]deca-3,8-dien-4-yl]-2-(2-trimethylsilylethoxymethoxy)propanal
CID 11152744
2-[(2R,6R)-2-[(2S,6S,7E,10S,11S,12E)-10,11-bis[[tert-butyl(dimethyl)silyl]oxy]-6-(methoxymethoxy)-2-methyl-13-[(2S)-4-methyl-3,6-dihydro-2H-pyran-2-yl]-4-methylidenetrideca-7,12-dienyl]-3,6-dihydro-2H-pyran-6-yl]acetaldehyde
CID 11204950
7-(6-but-2-ynyl-3,6-dihydro-2H-pyran-2-yl)-2-(methoxymethoxy)-6-methyl-4-methylideneheptanal
CID 23524034
(2S,6S)-2-[tert-butyl(dimethyl)silyl]oxy-6-methyl-4-methylidene-7-[(2R,6R)-6-prop-2-ynyl-3,6-dihydro-2H-pyran-2-yl]heptanal
CID 25111514
2-[(1R,5S)-1,8-dimethylspiro[4.5]deca-3,8-dien-4-yl]-2-(2-trimethylsilylethoxymethoxy)propanal
CID 177573674

Frequently Asked Questions

What is the IUPAC name of 7-[6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,6-dihydro-2H-pyran-2-yl]-2-(methoxymethoxy)-6-methyl-4-methylideneheptanal?
The IUPAC name of 7-[6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,6-dihydro-2H-pyran-2-yl]-2-(methoxymethoxy)-6-methyl-4-methylideneheptanal (CID 22643613) is 7-[6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,6-dihydro-2H-pyran-2-yl]-2-(methoxymethoxy)-6-methyl-4-methylideneheptanal.
What is the SMILES notation for 7-[6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,6-dihydro-2H-pyran-2-yl]-2-(methoxymethoxy)-6-methyl-4-methylideneheptanal?
The canonical SMILES for 7-[6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,6-dihydro-2H-pyran-2-yl]-2-(methoxymethoxy)-6-methyl-4-methylideneheptanal is C=C(CC(C)CC1CC=CC(CCO[Si](C)(C)C(C)(C)C)O1)CC(C=O)OCOC.
What is the InChIKey of 7-[6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,6-dihydro-2H-pyran-2-yl]-2-(methoxymethoxy)-6-methyl-4-methylideneheptanal?
The InChIKey is QBWOIEIZSXKEFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H44O5Si/c1-19(14-20(2)16-23(17-25)27-18-26-6)15-22-11-9-10-21(29-22)12-13-28-30(7,8)24(3,4)5/h9-10,17,19,21-23H,2,11-16,18H2,1,3-8H3.
What are the key properties of 7-[6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,6-dihydro-2H-pyran-2-yl]-2-(methoxymethoxy)-6-methyl-4-methylideneheptanal?
7-[6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,6-dihydro-2H-pyran-2-yl]-2-(methoxymethoxy)-6-methyl-4-methylideneheptanal has a molecular weight of 440.70 g/mol, XLogP of 5.66, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,6-dihydro-2H-pyran-2-yl]-2-(methoxymethoxy)-6-methyl-4-methylideneheptanal is sourced from PubChem (CID 22643613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).