methoxymethoxymethyl (3R)-3-(methoxymethoxymethoxy)-3-(2-phenylethyl)hexanoate

C20H32O7 — CID 10620039

IUPACmethoxymethoxymethyl (3R)-3-(methoxymethoxymethoxy)-3-(2-phenylethyl)hexanoate
SMILESCCC[C@@](CCc1ccccc1)(CC(=O)OCOCOC)OCOCOC
InChIInChI=1S/C20H32O7/c1-4-11-20(27-17-25-15-23-3,12-10-18-8-6-5-7-9-18)13-19(21)26-16-24-14-22-2/h5-9H,4,10-17H2,1-3H3/t20-/m1/s1
InChIKeyWYUATMSARNDGGG-HXUWFJFHSA-N
MW384.47 g/mol
LogP3.26
Rot. Bonds16

About methoxymethoxymethyl (3R)-3-(methoxymethoxymethoxy)-3-(2-phenylethyl)hexanoate

methoxymethoxymethyl (3R)-3-(methoxymethoxymethoxy)-3-(2-phenylethyl)hexanoate (PubChem CID 10620039) has the molecular formula C20H32O7 and a molecular weight of 384.47 g/mol. Its IUPAC name is methoxymethoxymethyl (3R)-3-(methoxymethoxymethoxy)-3-(2-phenylethyl)hexanoate.

Molecular Properties

Compound Namemethoxymethoxymethyl (3R)-3-(methoxymethoxymethoxy)-3-(2-phenylethyl)hexanoate
PubChem CID10620039
Molecular FormulaC20H32O7
Molecular Weight384.47 g/mol
Exact Mass384.21
IUPAC Namemethoxymethoxymethyl (3R)-3-(methoxymethoxymethoxy)-3-(2-phenylethyl)hexanoate
SMILESCCC[C@@](CCc1ccccc1)(CC(=O)OCOCOC)OCOCOC
InChIInChI=1S/C20H32O7/c1-4-11-20(27-17-25-15-23-3,12-10-18-8-6-5-7-9-18)13-19(21)26-16-24-14-22-2/h5-9H,4,10-17H2,1-3H3/t20-/m1/s1
InChIKeyWYUATMSARNDGGG-HXUWFJFHSA-N
XLogP3.26
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds16
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.47
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(3R)-3-(methoxymethoxymethoxy)-3-(2-phenylethyl)hexanal
CID 10494034
(3R)-3-(2-phenylethyl)-3-(2-trimethylsilylethoxymethoxymethoxy)hexan-1-ol
CID 10596098
ethyl (3R)-3-hydroxy-3-methyl-5-phenylpentanoate
CID 155931906
tert-butyl 3-hydroxy-3-(2-phenylethyl)hexanoate
CID 22173596
4-hydroxy-4-(2-phenylethyl)heptan-2-one
CID 59072553
diethyl 2-amino-2-(2-phenylethyl)propanedioate
CID 142661399
ethoxymethyl 2-phenylethyl carbonate
CID 24976123
benzyl (3S)-3-methyl-3-(2-phenylethyl)pent-4-enoate
CID 132522279
3-[3-(3-methoxy-3-propylhexyl)phenyl]propan-1-amine
CID 42610459
4,4-bis(2-phenylethoxy)pentanoyloxymethyl 4,4-bis(2-phenylethoxy)pentanoate
CID 163583423
3-O-benzyl 1-O-ethyl 2,2-dipropylpropanedioate
CID 175178749
2-(ethoxycarbonylamino)-2-hydroxy-4-phenylbutanoic acid
CID 19604478

Frequently Asked Questions

What is the IUPAC name of methoxymethoxymethyl (3R)-3-(methoxymethoxymethoxy)-3-(2-phenylethyl)hexanoate?
The IUPAC name of methoxymethoxymethyl (3R)-3-(methoxymethoxymethoxy)-3-(2-phenylethyl)hexanoate (CID 10620039) is methoxymethoxymethyl (3R)-3-(methoxymethoxymethoxy)-3-(2-phenylethyl)hexanoate.
What is the SMILES notation for methoxymethoxymethyl (3R)-3-(methoxymethoxymethoxy)-3-(2-phenylethyl)hexanoate?
The canonical SMILES for methoxymethoxymethyl (3R)-3-(methoxymethoxymethoxy)-3-(2-phenylethyl)hexanoate is CCC[C@@](CCc1ccccc1)(CC(=O)OCOCOC)OCOCOC.
What is the InChIKey of methoxymethoxymethyl (3R)-3-(methoxymethoxymethoxy)-3-(2-phenylethyl)hexanoate?
The InChIKey is WYUATMSARNDGGG-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H32O7/c1-4-11-20(27-17-25-15-23-3,12-10-18-8-6-5-7-9-18)13-19(21)26-16-24-14-22-2/h5-9H,4,10-17H2,1-3H3/t20-/m1/s1.
What are the key properties of methoxymethoxymethyl (3R)-3-(methoxymethoxymethoxy)-3-(2-phenylethyl)hexanoate?
methoxymethoxymethyl (3R)-3-(methoxymethoxymethoxy)-3-(2-phenylethyl)hexanoate has a molecular weight of 384.47 g/mol, XLogP of 3.26, 16 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methoxymethoxymethyl (3R)-3-(methoxymethoxymethoxy)-3-(2-phenylethyl)hexanoate is sourced from PubChem (CID 10620039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).