(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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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).