(3R)-3-(methoxymethoxymethoxy)-3-(2-phenylethyl)hexanal

C17H26O4 — CID 10494034

IUPAC(3R)-3-(methoxymethoxymethoxy)-3-(2-phenylethyl)hexanal
SMILESCCC[C@](CC=O)(CCc1ccccc1)OCOCOC
InChIInChI=1S/C17H26O4/c1-3-10-17(12-13-18,21-15-20-14-19-2)11-9-16-7-5-4-6-8-16/h4-8,13H,3,9-12,14-15H2,1-2H3/t17-/m1/s1
InChIKeyBPWROEXZVYXGEQ-QGZVFWFLSA-N
MW294.39 g/mol
LogP3.34
Rot. Bonds12

About (3R)-3-(methoxymethoxymethoxy)-3-(2-phenylethyl)hexanal

(3R)-3-(methoxymethoxymethoxy)-3-(2-phenylethyl)hexanal (PubChem CID 10494034) has the molecular formula C17H26O4 and a molecular weight of 294.39 g/mol. Its IUPAC name is (3R)-3-(methoxymethoxymethoxy)-3-(2-phenylethyl)hexanal.

Molecular Properties

Compound Name(3R)-3-(methoxymethoxymethoxy)-3-(2-phenylethyl)hexanal
PubChem CID10494034
Molecular FormulaC17H26O4
Molecular Weight294.39 g/mol
Exact Mass294.18
IUPAC Name(3R)-3-(methoxymethoxymethoxy)-3-(2-phenylethyl)hexanal
SMILESCCC[C@](CC=O)(CCc1ccccc1)OCOCOC
InChIInChI=1S/C17H26O4/c1-3-10-17(12-13-18,21-15-20-14-19-2)11-9-16-7-5-4-6-8-16/h4-8,13H,3,9-12,14-15H2,1-2H3/t17-/m1/s1
InChIKeyBPWROEXZVYXGEQ-QGZVFWFLSA-N
XLogP3.34
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 53.34
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': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(methoxymethoxymethoxy)-3-(2-phenylethyl)hexanal?
The IUPAC name of (3R)-3-(methoxymethoxymethoxy)-3-(2-phenylethyl)hexanal (CID 10494034) is (3R)-3-(methoxymethoxymethoxy)-3-(2-phenylethyl)hexanal.
What is the SMILES notation for (3R)-3-(methoxymethoxymethoxy)-3-(2-phenylethyl)hexanal?
The canonical SMILES for (3R)-3-(methoxymethoxymethoxy)-3-(2-phenylethyl)hexanal is CCC[C@](CC=O)(CCc1ccccc1)OCOCOC.
What is the InChIKey of (3R)-3-(methoxymethoxymethoxy)-3-(2-phenylethyl)hexanal?
The InChIKey is BPWROEXZVYXGEQ-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H26O4/c1-3-10-17(12-13-18,21-15-20-14-19-2)11-9-16-7-5-4-6-8-16/h4-8,13H,3,9-12,14-15H2,1-2H3/t17-/m1/s1.
What are the key properties of (3R)-3-(methoxymethoxymethoxy)-3-(2-phenylethyl)hexanal?
(3R)-3-(methoxymethoxymethoxy)-3-(2-phenylethyl)hexanal has a molecular weight of 294.39 g/mol, XLogP of 3.34, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(methoxymethoxymethoxy)-3-(2-phenylethyl)hexanal is sourced from PubChem (CID 10494034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).