2-[1-[4-[(2R)-butan-2-yl]oxybutan-2-yloxy]-3-methylpentan-3-yl]oxyethanol

C16H34O4 — CID 88920840

IUPAC2-[1-[4-[(2R)-butan-2-yl]oxybutan-2-yloxy]-3-methylpentan-3-yl]oxyethanol
SMILESCC[C@@H](C)OCCC(C)OCCC(C)(CC)OCCO
InChIInChI=1S/C16H34O4/c1-6-14(3)18-11-8-15(4)19-12-9-16(5,7-2)20-13-10-17/h14-15,17H,6-13H2,1-5H3/t14-,15?,16?/m1/s1
InChIKeyOSPPCXDFDYCYDN-QQFBHYJXSA-N
MW290.44 g/mol
LogP3.16
Rot. Bonds13

About 2-[1-[4-[(2R)-butan-2-yl]oxybutan-2-yloxy]-3-methylpentan-3-yl]oxyethanol

2-[1-[4-[(2R)-butan-2-yl]oxybutan-2-yloxy]-3-methylpentan-3-yl]oxyethanol (PubChem CID 88920840) has the molecular formula C16H34O4 and a molecular weight of 290.44 g/mol. Its IUPAC name is 2-[1-[4-[(2R)-butan-2-yl]oxybutan-2-yloxy]-3-methylpentan-3-yl]oxyethanol.

Molecular Properties

Compound Name2-[1-[4-[(2R)-butan-2-yl]oxybutan-2-yloxy]-3-methylpentan-3-yl]oxyethanol
PubChem CID88920840
Molecular FormulaC16H34O4
Molecular Weight290.44 g/mol
Exact Mass290.25
IUPAC Name2-[1-[4-[(2R)-butan-2-yl]oxybutan-2-yloxy]-3-methylpentan-3-yl]oxyethanol
SMILESCC[C@@H](C)OCCC(C)OCCC(C)(CC)OCCO
InChIInChI=1S/C16H34O4/c1-6-14(3)18-11-8-15(4)19-12-9-16(5,7-2)20-13-10-17/h14-15,17H,6-13H2,1-5H3/t14-,15?,16?/m1/s1
InChIKeyOSPPCXDFDYCYDN-QQFBHYJXSA-N
XLogP3.16
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.44
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[1-[4-[(2R)-butan-2-yl]oxybutan-2-yloxy]-3-methylpentan-3-yl]oxyethanol with MolForge

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Related Compounds

2-butan-2-yloxyethanol;rutherfordium
CID 164705656
1-butan-2-yloxy-5-butoxy-5-methylheptane
CID 173302363
3-(3-ethoxy-3-methylpentoxy)-3-methylpentan-1-ol
CID 155151234
(1-butan-2-yloxy-3-methylpentan-3-yl) 2-tert-butyl-4-methylpentanoate
CID 138498280
2-(4,7-dimethyloctan-4-yloxy)ethanol
CID 142712645
4-[3-(2-hydroxyethoxy)-3-methylbutoxy]-4-methylhexan-1-ol
CID 123708983
3-[(2R)-butan-2-yl]oxypropan-1-ol
CID 5315839
2-[(2S)-pentan-2-yl]oxyethanol
CID 89167429
2-[2-(2-pentan-2-yloxyethoxy)ethoxy]ethanol
CID 23132047
1-methoxy-3-methyl-3-(3-methylpentoxy)pentane
CID 89083438
1-(4-aminobutan-2-yloxy)-3-methylpentan-3-amine
CID 89078030
3-[3-(2-ethenoxyethoxy)butoxy]butan-1-ol
CID 89181158

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-[(2R)-butan-2-yl]oxybutan-2-yloxy]-3-methylpentan-3-yl]oxyethanol?
The IUPAC name of 2-[1-[4-[(2R)-butan-2-yl]oxybutan-2-yloxy]-3-methylpentan-3-yl]oxyethanol (CID 88920840) is 2-[1-[4-[(2R)-butan-2-yl]oxybutan-2-yloxy]-3-methylpentan-3-yl]oxyethanol.
What is the SMILES notation for 2-[1-[4-[(2R)-butan-2-yl]oxybutan-2-yloxy]-3-methylpentan-3-yl]oxyethanol?
The canonical SMILES for 2-[1-[4-[(2R)-butan-2-yl]oxybutan-2-yloxy]-3-methylpentan-3-yl]oxyethanol is CC[C@@H](C)OCCC(C)OCCC(C)(CC)OCCO.
What is the InChIKey of 2-[1-[4-[(2R)-butan-2-yl]oxybutan-2-yloxy]-3-methylpentan-3-yl]oxyethanol?
The InChIKey is OSPPCXDFDYCYDN-QQFBHYJXSA-N. The full InChI is InChI=1S/C16H34O4/c1-6-14(3)18-11-8-15(4)19-12-9-16(5,7-2)20-13-10-17/h14-15,17H,6-13H2,1-5H3/t14-,15?,16?/m1/s1.
What are the key properties of 2-[1-[4-[(2R)-butan-2-yl]oxybutan-2-yloxy]-3-methylpentan-3-yl]oxyethanol?
2-[1-[4-[(2R)-butan-2-yl]oxybutan-2-yloxy]-3-methylpentan-3-yl]oxyethanol has a molecular weight of 290.44 g/mol, XLogP of 3.16, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-[(2R)-butan-2-yl]oxybutan-2-yloxy]-3-methylpentan-3-yl]oxyethanol is sourced from PubChem (CID 88920840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).