(2S)-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butan-2-ol

C10H22O3 — CID 103939578

IUPAC(2S)-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butan-2-ol
SMILESCC(OCCOC(C)(C)C)[C@H](C)O
InChIInChI=1S/C10H22O3/c1-8(11)9(2)12-6-7-13-10(3,4)5/h8-9,11H,6-7H2,1-5H3/t8-,9?/m0/s1
InChIKeyXETIEBRIMAUBRU-IENPIDJESA-N
MW190.28 g/mol
LogP1.59
Rot. Bonds5

About (2S)-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butan-2-ol

(2S)-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butan-2-ol (PubChem CID 103939578) has the molecular formula C10H22O3 and a molecular weight of 190.28 g/mol. Its IUPAC name is (2S)-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butan-2-ol.

Molecular Properties

Compound Name(2S)-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butan-2-ol
PubChem CID103939578
Molecular FormulaC10H22O3
Molecular Weight190.28 g/mol
Exact Mass190.16
IUPAC Name(2S)-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butan-2-ol
SMILESCC(OCCOC(C)(C)C)[C@H](C)O
InChIInChI=1S/C10H22O3/c1-8(11)9(2)12-6-7-13-10(3,4)5/h8-9,11H,6-7H2,1-5H3/t8-,9?/m0/s1
InChIKeyXETIEBRIMAUBRU-IENPIDJESA-N
XLogP1.59
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.28
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2,2-dimethylpropoxy)butan-2-ol
CID 551306
(2S)-4-[(2-methylpropan-2-yl)oxy]butan-2-ol
CID 154621422
2,2-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pentane
CID 162034273
3-(2-ethenoxyethoxy)butan-2-ol
CID 90891465
2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propanenitrile
CID 112587638
3-[2-[(2-methylpropan-2-yl)oxy]ethylsulfanyl]butan-2-ol
CID 103706149
1-[(2-methylpropan-2-yl)oxy]-3-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]propan-2-ol
CID 155627567
4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pentanehydrazide
CID 112590279
2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-1-phenylpropan-1-one
CID 112588356
(3S)-3-(hydroxymethoxy)butan-2-ol
CID 145435326
2-methyl-N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propyl]propan-2-amine
CID 112589746
(2R,3R)-3-octoxybutan-2-ol
CID 54496266

Frequently Asked Questions

What is the IUPAC name of (2S)-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butan-2-ol?
The IUPAC name of (2S)-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butan-2-ol (CID 103939578) is (2S)-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butan-2-ol.
What is the SMILES notation for (2S)-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butan-2-ol?
The canonical SMILES for (2S)-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butan-2-ol is CC(OCCOC(C)(C)C)[C@H](C)O.
What is the InChIKey of (2S)-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butan-2-ol?
The InChIKey is XETIEBRIMAUBRU-IENPIDJESA-N. The full InChI is InChI=1S/C10H22O3/c1-8(11)9(2)12-6-7-13-10(3,4)5/h8-9,11H,6-7H2,1-5H3/t8-,9?/m0/s1.
What are the key properties of (2S)-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butan-2-ol?
(2S)-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butan-2-ol has a molecular weight of 190.28 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butan-2-ol is sourced from PubChem (CID 103939578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).