(2S)-2-[(2R)-2-[(2R)-2-[(2S)-2-[(2S)-2-(2-methoxyethoxy)propoxy]propoxy]propoxy]propoxy]-1-[(2R)-propan-2-yl]oxypropane

C21H43O7- — CID 172636483

IUPAC(2S)-2-[(2R)-2-[(2R)-2-[(2S)-2-[(2S)-2-(2-methoxyethoxy)propoxy]propoxy]propoxy]propoxy]-1-[(2R)-propan-2-yl]oxypropane
SMILES[CH2-][C@H](C)OC[C@H](C)OC[C@@H](C)OC[C@@H](C)OC[C@H](C)OC[C@H](C)OCCOC
InChIInChI=1S/C21H43O7/c1-16(2)24-11-18(4)26-13-20(6)28-15-21(7)27-14-19(5)25-12-17(3)23-10-9-22-8/h16-21H,1,9-15H2,2-8H3/q-1/t16-,17+,18+,19+,20-,21-/m1/s1
InChIKeyIMJDSQDFXQZECU-ZZAJFKAYSA-N
MW407.57 g/mol
LogP2.90
Rot. Bonds19

About (2S)-2-[(2R)-2-[(2R)-2-[(2S)-2-[(2S)-2-(2-methoxyethoxy)propoxy]propoxy]propoxy]propoxy]-1-[(2R)-propan-2-yl]oxypropane

(2S)-2-[(2R)-2-[(2R)-2-[(2S)-2-[(2S)-2-(2-methoxyethoxy)propoxy]propoxy]propoxy]propoxy]-1-[(2R)-propan-2-yl]oxypropane (PubChem CID 172636483) has the molecular formula C21H43O7- and a molecular weight of 407.57 g/mol. Its IUPAC name is (2S)-2-[(2R)-2-[(2R)-2-[(2S)-2-[(2S)-2-(2-methoxyethoxy)propoxy]propoxy]propoxy]propoxy]-1-[(2R)-propan-2-yl]oxypropane.

Molecular Properties

Compound Name(2S)-2-[(2R)-2-[(2R)-2-[(2S)-2-[(2S)-2-(2-methoxyethoxy)propoxy]propoxy]propoxy]propoxy]-1-[(2R)-propan-2-yl]oxypropane
PubChem CID172636483
Molecular FormulaC21H43O7-
Molecular Weight407.57 g/mol
Exact Mass407.30
IUPAC Name(2S)-2-[(2R)-2-[(2R)-2-[(2S)-2-[(2S)-2-(2-methoxyethoxy)propoxy]propoxy]propoxy]propoxy]-1-[(2R)-propan-2-yl]oxypropane
SMILES[CH2-][C@H](C)OC[C@H](C)OC[C@@H](C)OC[C@@H](C)OC[C@H](C)OC[C@H](C)OCCOC
InChIInChI=1S/C21H43O7/c1-16(2)24-11-18(4)26-13-20(6)28-15-21(7)27-14-19(5)25-12-17(3)23-10-9-22-8/h16-21H,1,9-15H2,2-8H3/q-1/t16-,17+,18+,19+,20-,21-/m1/s1
InChIKeyIMJDSQDFXQZECU-ZZAJFKAYSA-N
XLogP2.90
TPSA64.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds19
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.57
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

1-[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]-3-methylbutane
CID 140766822
1-methoxy-2-(2-methoxyethoxy)ethane;1-methoxy-2-(2-methoxypropoxy)propane
CID 158788669
ethane;2-(2-methoxyethoxy)butane
CID 168922397
1-[1-[1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propan-2-yloxy]propan-2-yloxy]-2-methylpropane
CID 118672569
2-methoxy-1-[2-[2-[2-[2-[2-[1-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]propoxy]propoxy]propan-2-yloxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butane
CID 58150754
(2R)-2-(2-methoxyethoxy)propan-1-ol
CID 118089106
methane;1-methoxy-2-(2-methoxypropoxy)propane
CID 161499840
(2R)-1-[(2R)-1-[(2R)-1-(2-methoxyethoxy)propan-2-yl]oxypropan-2-yl]oxypropan-2-amine
CID 157049295
methane;2-(2-methoxyethoxy)-1-prop-2-enoxypropane
CID 158972079
1-[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]butan-2-ol
CID 20834285
2-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]ethyl prop-2-enoate
CID 135130322
1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]hexane
CID 140766817

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2R)-2-[(2R)-2-[(2S)-2-[(2S)-2-(2-methoxyethoxy)propoxy]propoxy]propoxy]propoxy]-1-[(2R)-propan-2-yl]oxypropane?
The IUPAC name of (2S)-2-[(2R)-2-[(2R)-2-[(2S)-2-[(2S)-2-(2-methoxyethoxy)propoxy]propoxy]propoxy]propoxy]-1-[(2R)-propan-2-yl]oxypropane (CID 172636483) is (2S)-2-[(2R)-2-[(2R)-2-[(2S)-2-[(2S)-2-(2-methoxyethoxy)propoxy]propoxy]propoxy]propoxy]-1-[(2R)-propan-2-yl]oxypropane.
What is the SMILES notation for (2S)-2-[(2R)-2-[(2R)-2-[(2S)-2-[(2S)-2-(2-methoxyethoxy)propoxy]propoxy]propoxy]propoxy]-1-[(2R)-propan-2-yl]oxypropane?
The canonical SMILES for (2S)-2-[(2R)-2-[(2R)-2-[(2S)-2-[(2S)-2-(2-methoxyethoxy)propoxy]propoxy]propoxy]propoxy]-1-[(2R)-propan-2-yl]oxypropane is [CH2-][C@H](C)OC[C@H](C)OC[C@@H](C)OC[C@@H](C)OC[C@H](C)OC[C@H](C)OCCOC.
What is the InChIKey of (2S)-2-[(2R)-2-[(2R)-2-[(2S)-2-[(2S)-2-(2-methoxyethoxy)propoxy]propoxy]propoxy]propoxy]-1-[(2R)-propan-2-yl]oxypropane?
The InChIKey is IMJDSQDFXQZECU-ZZAJFKAYSA-N. The full InChI is InChI=1S/C21H43O7/c1-16(2)24-11-18(4)26-13-20(6)28-15-21(7)27-14-19(5)25-12-17(3)23-10-9-22-8/h16-21H,1,9-15H2,2-8H3/q-1/t16-,17+,18+,19+,20-,21-/m1/s1.
What are the key properties of (2S)-2-[(2R)-2-[(2R)-2-[(2S)-2-[(2S)-2-(2-methoxyethoxy)propoxy]propoxy]propoxy]propoxy]-1-[(2R)-propan-2-yl]oxypropane?
(2S)-2-[(2R)-2-[(2R)-2-[(2S)-2-[(2S)-2-(2-methoxyethoxy)propoxy]propoxy]propoxy]propoxy]-1-[(2R)-propan-2-yl]oxypropane has a molecular weight of 407.57 g/mol, XLogP of 2.90, 19 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2R)-2-[(2R)-2-[(2S)-2-[(2S)-2-(2-methoxyethoxy)propoxy]propoxy]propoxy]propoxy]-1-[(2R)-propan-2-yl]oxypropane is sourced from PubChem (CID 172636483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).