(3R)-3-(methoxymethoxy)-7-tri(propan-2-yl)silyloxyheptanal

C18H38O4Si — CID 101155909

IUPAC(3R)-3-(methoxymethoxy)-7-tri(propan-2-yl)silyloxyheptanal
SMILESCOCO[C@@H](CC=O)CCCCO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C18H38O4Si/c1-15(2)23(16(3)4,17(5)6)22-13-9-8-10-18(11-12-19)21-14-20-7/h12,15-18H,8-11,13-14H2,1-7H3/t18-/m1/s1
InChIKeyXGUSXCMYLNOUGP-GOSISDBHSA-N
MW346.58 g/mol
LogP4.93
Rot. Bonds14

About (3R)-3-(methoxymethoxy)-7-tri(propan-2-yl)silyloxyheptanal

(3R)-3-(methoxymethoxy)-7-tri(propan-2-yl)silyloxyheptanal (PubChem CID 101155909) has the molecular formula C18H38O4Si and a molecular weight of 346.58 g/mol. Its IUPAC name is (3R)-3-(methoxymethoxy)-7-tri(propan-2-yl)silyloxyheptanal.

Molecular Properties

Compound Name(3R)-3-(methoxymethoxy)-7-tri(propan-2-yl)silyloxyheptanal
PubChem CID101155909
Molecular FormulaC18H38O4Si
Molecular Weight346.58 g/mol
Exact Mass346.25
IUPAC Name(3R)-3-(methoxymethoxy)-7-tri(propan-2-yl)silyloxyheptanal
SMILESCOCO[C@@H](CC=O)CCCCO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C18H38O4Si/c1-15(2)23(16(3)4,17(5)6)22-13-9-8-10-18(11-12-19)21-14-20-7/h12,15-18H,8-11,13-14H2,1-7H3/t18-/m1/s1
InChIKeyXGUSXCMYLNOUGP-GOSISDBHSA-N
XLogP4.93
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.58
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3S,4S,6S)-7-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-4,6-dimethylheptanal
CID 101579951
2-((2R,4S,6S)-6-((2S,4S)-2,4-bis(Methoxymethoxy)pentyl)-4-((tert-butyldimethylsilyl)oxy)tetrahydro-2H-pyran-2-yl)acetaldehyde
CID 145864778
(2S,3R)-2-methyl-7-(oxan-2-yloxy)-3-triethylsilyloxyheptanal
CID 10970398
1-[(4S)-1,3-dioxan-4-yl]-4-tri(propan-2-yl)silyloxybutan-2-one
CID 10980440
2-[(4R,6R)-2,2-dimethyl-6-[4-tri(propan-2-yl)silyloxybutyl]-1,3-dioxan-4-yl]acetaldehyde
CID 11200031
2-[(4S,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetaldehyde
CID 11461255
2-[(4S,6R)-6-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetaldehyde
CID 42600164
(2R,3S,5S,6R)-7-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-5-(methoxymethoxy)-2,6-dimethylheptanal
CID 46899844
(3R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)tetradecanal
CID 71479563
(3R)-3-methoxy-7-tri(propan-2-yl)silyloxyheptanal
CID 101155907
2-[(4S,6R)-2,2-dimethyl-6-[4-tri(propan-2-yl)silyloxybutyl]-1,3-dioxan-4-yl]acetaldehyde
CID 101155912
2-[(2S,4S,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-ethyl-1,3-dioxan-4-yl]acetaldehyde
CID 102011572

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(methoxymethoxy)-7-tri(propan-2-yl)silyloxyheptanal?
The IUPAC name of (3R)-3-(methoxymethoxy)-7-tri(propan-2-yl)silyloxyheptanal (CID 101155909) is (3R)-3-(methoxymethoxy)-7-tri(propan-2-yl)silyloxyheptanal.
What is the SMILES notation for (3R)-3-(methoxymethoxy)-7-tri(propan-2-yl)silyloxyheptanal?
The canonical SMILES for (3R)-3-(methoxymethoxy)-7-tri(propan-2-yl)silyloxyheptanal is COCO[C@@H](CC=O)CCCCO[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of (3R)-3-(methoxymethoxy)-7-tri(propan-2-yl)silyloxyheptanal?
The InChIKey is XGUSXCMYLNOUGP-GOSISDBHSA-N. The full InChI is InChI=1S/C18H38O4Si/c1-15(2)23(16(3)4,17(5)6)22-13-9-8-10-18(11-12-19)21-14-20-7/h12,15-18H,8-11,13-14H2,1-7H3/t18-/m1/s1.
What are the key properties of (3R)-3-(methoxymethoxy)-7-tri(propan-2-yl)silyloxyheptanal?
(3R)-3-(methoxymethoxy)-7-tri(propan-2-yl)silyloxyheptanal has a molecular weight of 346.58 g/mol, XLogP of 4.93, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(methoxymethoxy)-7-tri(propan-2-yl)silyloxyheptanal is sourced from PubChem (CID 101155909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).