(2R,3R)-1,1,3-triethoxy-2-methylbutane

C11H24O3 — CID 129365387

IUPAC(2R,3R)-1,1,3-triethoxy-2-methylbutane
SMILESCCOC(OCC)[C@H](C)[C@@H](C)OCC
InChIInChI=1S/C11H24O3/c1-6-12-10(5)9(4)11(13-7-2)14-8-3/h9-11H,6-8H2,1-5H3/t9-,10-/m1/s1
InChIKeyBWDYLUMZXQQYHK-NXEZZACHSA-N
MW204.31 g/mol
LogP2.45
Rot. Bonds8

About (2R,3R)-1,1,3-triethoxy-2-methylbutane

(2R,3R)-1,1,3-triethoxy-2-methylbutane (PubChem CID 129365387) has the molecular formula C11H24O3 and a molecular weight of 204.31 g/mol. Its IUPAC name is (2R,3R)-1,1,3-triethoxy-2-methylbutane.

Molecular Properties

Compound Name(2R,3R)-1,1,3-triethoxy-2-methylbutane
PubChem CID129365387
Molecular FormulaC11H24O3
Molecular Weight204.31 g/mol
Exact Mass204.17
IUPAC Name(2R,3R)-1,1,3-triethoxy-2-methylbutane
SMILESCCOC(OCC)[C@H](C)[C@@H](C)OCC
InChIInChI=1S/C11H24O3/c1-6-12-10(5)9(4)11(13-7-2)14-8-3/h9-11H,6-8H2,1-5H3/t9-,10-/m1/s1
InChIKeyBWDYLUMZXQQYHK-NXEZZACHSA-N
XLogP2.45
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R,3R,4R)-2-ethoxy-3,4,5-trimethylhexane
CID 142521476
1,1,2,3-tetraethoxybutane
CID 121007003
3-(diethoxymethyl)-2-ethoxypentane
CID 121012465
(2S)-3-ethoxybutan-2-amine
CID 64712582
2,3-diethoxybutane;ethane-1,2-diol
CID 158153184
1,1-diethoxypropane-2-thiol
CID 23462764
1,1-diethoxyethane
CID 7765
2-ethoxy-4-methylpentan-3-ol
CID 64541763
1,1-diethoxy-6-methylheptan-2-amine
CID 83160850
2-ethoxy-3-(2-ethoxyethoxy)butane
CID 129061401
3-ethoxy-2-methylbutanenitrile
CID 14922695
2-ethoxy-1-(2-ethoxypropoxy)propane
CID 21277912

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-1,1,3-triethoxy-2-methylbutane?
The IUPAC name of (2R,3R)-1,1,3-triethoxy-2-methylbutane (CID 129365387) is (2R,3R)-1,1,3-triethoxy-2-methylbutane.
What is the SMILES notation for (2R,3R)-1,1,3-triethoxy-2-methylbutane?
The canonical SMILES for (2R,3R)-1,1,3-triethoxy-2-methylbutane is CCOC(OCC)[C@H](C)[C@@H](C)OCC.
What is the InChIKey of (2R,3R)-1,1,3-triethoxy-2-methylbutane?
The InChIKey is BWDYLUMZXQQYHK-NXEZZACHSA-N. The full InChI is InChI=1S/C11H24O3/c1-6-12-10(5)9(4)11(13-7-2)14-8-3/h9-11H,6-8H2,1-5H3/t9-,10-/m1/s1.
What are the key properties of (2R,3R)-1,1,3-triethoxy-2-methylbutane?
(2R,3R)-1,1,3-triethoxy-2-methylbutane has a molecular weight of 204.31 g/mol, XLogP of 2.45, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-1,1,3-triethoxy-2-methylbutane is sourced from PubChem (CID 129365387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).