2-ethoxy-2-methoxybutane-1,3-diol

C7H16O4 — CID 57303452

IUPAC2-ethoxy-2-methoxybutane-1,3-diol
SMILESCCOC(CO)(OC)C(C)O
InChIInChI=1S/C7H16O4/c1-4-11-7(5-8,10-3)6(2)9/h6,8-9H,4-5H2,1-3H3
InChIKeyUIYCNYQEGVJQGC-UHFFFAOYSA-N
MW164.20 g/mol
LogP-0.26
Rot. Bonds5

About 2-ethoxy-2-methoxybutane-1,3-diol

2-ethoxy-2-methoxybutane-1,3-diol (PubChem CID 57303452) has the molecular formula C7H16O4 and a molecular weight of 164.20 g/mol. Its IUPAC name is 2-ethoxy-2-methoxybutane-1,3-diol.

Molecular Properties

Compound Name2-ethoxy-2-methoxybutane-1,3-diol
PubChem CID57303452
Molecular FormulaC7H16O4
Molecular Weight164.20 g/mol
Exact Mass164.10
IUPAC Name2-ethoxy-2-methoxybutane-1,3-diol
SMILESCCOC(CO)(OC)C(C)O
InChIInChI=1S/C7H16O4/c1-4-11-7(5-8,10-3)6(2)9/h6,8-9H,4-5H2,1-3H3
InChIKeyUIYCNYQEGVJQGC-UHFFFAOYSA-N
XLogP-0.26
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Solketal
CID 7528
Tripropylene glycol n-butyl ether
CID 60196418
3-Butoxy-1,2-propanediol
CID 263027
(R)-Solketal
CID 736056
(+)-Solketal
CID 736057
1,3-Dioxolane-4,5-dimethanol, 2,2-dimethyl-, (4S,5S)-
CID 785242
1,3-Dioxolane-4,5-dimethanol, 2,2-dimethyl-, (4R,5R)-
CID 785244
[5-(Hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
CID 318275
2-Methyl-2-propyl-1,3-dioxolane-4-methanol
CID 20372
2,2-Dimethyl-1,3-dioxepan-5-ol
CID 15176638
Coruscol A
CID 21606535
3,3-Diethoxy-1,2-propanediol
CID 542749

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-2-methoxybutane-1,3-diol?
The IUPAC name of 2-ethoxy-2-methoxybutane-1,3-diol (CID 57303452) is 2-ethoxy-2-methoxybutane-1,3-diol.
What is the SMILES notation for 2-ethoxy-2-methoxybutane-1,3-diol?
The canonical SMILES for 2-ethoxy-2-methoxybutane-1,3-diol is CCOC(CO)(OC)C(C)O.
What is the InChIKey of 2-ethoxy-2-methoxybutane-1,3-diol?
The InChIKey is UIYCNYQEGVJQGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O4/c1-4-11-7(5-8,10-3)6(2)9/h6,8-9H,4-5H2,1-3H3.
What are the key properties of 2-ethoxy-2-methoxybutane-1,3-diol?
2-ethoxy-2-methoxybutane-1,3-diol has a molecular weight of 164.20 g/mol, XLogP of -0.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-2-methoxybutane-1,3-diol is sourced from PubChem (CID 57303452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).