3-(diethoxymethyl)-2-ethoxypentane

C12H26O3 — CID 121012465

IUPAC3-(diethoxymethyl)-2-ethoxypentane
SMILESCCOC(C)C(CC)C(OCC)OCC
InChIInChI=1S/C12H26O3/c1-6-11(10(5)13-7-2)12(14-8-3)15-9-4/h10-12H,6-9H2,1-5H3
InChIKeyZTDGSYTUGIREMJ-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.84
Rot. Bonds9

About 3-(diethoxymethyl)-2-ethoxypentane

3-(diethoxymethyl)-2-ethoxypentane (PubChem CID 121012465) has the molecular formula C12H26O3 and a molecular weight of 218.34 g/mol. Its IUPAC name is 3-(diethoxymethyl)-2-ethoxypentane.

Molecular Properties

Compound Name3-(diethoxymethyl)-2-ethoxypentane
PubChem CID121012465
Molecular FormulaC12H26O3
Molecular Weight218.34 g/mol
Exact Mass218.19
IUPAC Name3-(diethoxymethyl)-2-ethoxypentane
SMILESCCOC(C)C(CC)C(OCC)OCC
InChIInChI=1S/C12H26O3/c1-6-11(10(5)13-7-2)12(14-8-3)15-9-4/h10-12H,6-9H2,1-5H3
InChIKeyZTDGSYTUGIREMJ-UHFFFAOYSA-N
XLogP2.84
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.84
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)-1,1,3-triethoxy-2-methylbutane
CID 129365387
1,1,2,3-tetraethoxybutane
CID 121007003
2-ethoxy-3-(2-ethoxyethoxy)butane
CID 129061401
(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-diethoxy-N,3-dimethylbutan-2-amine
CID 12506255
(2R,3R,4R)-2-ethoxy-3,4,5-trimethylhexane
CID 142521476
1,1-diethoxy-N-ethyl-3-methylhexan-2-amine
CID 107896716
1,1-diethoxyethane
CID 7765
2-ethoxy-4-methylpentan-3-ol
CID 64541763
CID 123408648
CID 123408648

Frequently Asked Questions

What is the IUPAC name of 3-(diethoxymethyl)-2-ethoxypentane?
The IUPAC name of 3-(diethoxymethyl)-2-ethoxypentane (CID 121012465) is 3-(diethoxymethyl)-2-ethoxypentane.
What is the SMILES notation for 3-(diethoxymethyl)-2-ethoxypentane?
The canonical SMILES for 3-(diethoxymethyl)-2-ethoxypentane is CCOC(C)C(CC)C(OCC)OCC.
What is the InChIKey of 3-(diethoxymethyl)-2-ethoxypentane?
The InChIKey is ZTDGSYTUGIREMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O3/c1-6-11(10(5)13-7-2)12(14-8-3)15-9-4/h10-12H,6-9H2,1-5H3.
What are the key properties of 3-(diethoxymethyl)-2-ethoxypentane?
3-(diethoxymethyl)-2-ethoxypentane has a molecular weight of 218.34 g/mol, XLogP of 2.84, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethoxymethyl)-2-ethoxypentane is sourced from PubChem (CID 121012465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).