(2S,4S,5S,6S)-5-(methoxymethoxy)-2,6-dimethyl-4-triethylsilyloxyoct-7-enal

C18H36O4Si — CID 134838444

IUPAC(2S,4S,5S,6S)-5-(methoxymethoxy)-2,6-dimethyl-4-triethylsilyloxyoct-7-enal
SMILESC=C[C@H](C)[C@H](OCOC)[C@H](C[C@H](C)C=O)O[Si](CC)(CC)CC
InChIInChI=1S/C18H36O4Si/c1-8-16(6)18(21-14-20-7)17(12-15(5)13-19)22-23(9-2,10-3)11-4/h8,13,15-18H,1,9-12,14H2,2-7H3/t15-,16-,17-,18-/m0/s1
InChIKeySFNWWXBNQRKKEX-XSLAGTTESA-N
MW344.57 g/mol
LogP4.41
Rot. Bonds14

About (2S,4S,5S,6S)-5-(methoxymethoxy)-2,6-dimethyl-4-triethylsilyloxyoct-7-enal

(2S,4S,5S,6S)-5-(methoxymethoxy)-2,6-dimethyl-4-triethylsilyloxyoct-7-enal (PubChem CID 134838444) has the molecular formula C18H36O4Si and a molecular weight of 344.57 g/mol. Its IUPAC name is (2S,4S,5S,6S)-5-(methoxymethoxy)-2,6-dimethyl-4-triethylsilyloxyoct-7-enal.

Molecular Properties

Compound Name(2S,4S,5S,6S)-5-(methoxymethoxy)-2,6-dimethyl-4-triethylsilyloxyoct-7-enal
PubChem CID134838444
Molecular FormulaC18H36O4Si
Molecular Weight344.57 g/mol
Exact Mass344.24
IUPAC Name(2S,4S,5S,6S)-5-(methoxymethoxy)-2,6-dimethyl-4-triethylsilyloxyoct-7-enal
SMILESC=C[C@H](C)[C@H](OCOC)[C@H](C[C@H](C)C=O)O[Si](CC)(CC)CC
InChIInChI=1S/C18H36O4Si/c1-8-16(6)18(21-14-20-7)17(12-15(5)13-19)22-23(9-2,10-3)11-4/h8,13,15-18H,1,9-12,14H2,2-7H3/t15-,16-,17-,18-/m0/s1
InChIKeySFNWWXBNQRKKEX-XSLAGTTESA-N
XLogP4.41
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.57
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

(4R)-4-[(4R,5S)-2,2-dimethyl-5-[(1R,2R)-2-methyl-1-triethylsilyloxybut-3-enyl]-1,3-dioxolan-4-yl]-4-methoxybutanal
CID 11957837
(3R)-3-[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-methoxy-2-[(4S,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]ethyl]pent-4-enal
CID 11101112
(1R,2S,4S)-2-[(E,6S)-6-[tert-butyl(dimethyl)silyl]oxyhept-1-enyl]-4-(2-methoxyethoxymethoxy)cyclopentane-1-carbaldehyde
CID 11729647

Frequently Asked Questions

What is the IUPAC name of (2S,4S,5S,6S)-5-(methoxymethoxy)-2,6-dimethyl-4-triethylsilyloxyoct-7-enal?
The IUPAC name of (2S,4S,5S,6S)-5-(methoxymethoxy)-2,6-dimethyl-4-triethylsilyloxyoct-7-enal (CID 134838444) is (2S,4S,5S,6S)-5-(methoxymethoxy)-2,6-dimethyl-4-triethylsilyloxyoct-7-enal.
What is the SMILES notation for (2S,4S,5S,6S)-5-(methoxymethoxy)-2,6-dimethyl-4-triethylsilyloxyoct-7-enal?
The canonical SMILES for (2S,4S,5S,6S)-5-(methoxymethoxy)-2,6-dimethyl-4-triethylsilyloxyoct-7-enal is C=C[C@H](C)[C@H](OCOC)[C@H](C[C@H](C)C=O)O[Si](CC)(CC)CC.
What is the InChIKey of (2S,4S,5S,6S)-5-(methoxymethoxy)-2,6-dimethyl-4-triethylsilyloxyoct-7-enal?
The InChIKey is SFNWWXBNQRKKEX-XSLAGTTESA-N. The full InChI is InChI=1S/C18H36O4Si/c1-8-16(6)18(21-14-20-7)17(12-15(5)13-19)22-23(9-2,10-3)11-4/h8,13,15-18H,1,9-12,14H2,2-7H3/t15-,16-,17-,18-/m0/s1.
What are the key properties of (2S,4S,5S,6S)-5-(methoxymethoxy)-2,6-dimethyl-4-triethylsilyloxyoct-7-enal?
(2S,4S,5S,6S)-5-(methoxymethoxy)-2,6-dimethyl-4-triethylsilyloxyoct-7-enal has a molecular weight of 344.57 g/mol, XLogP of 4.41, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S,5S,6S)-5-(methoxymethoxy)-2,6-dimethyl-4-triethylsilyloxyoct-7-enal is sourced from PubChem (CID 134838444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).