3-methoxy-2,2-bis(methoxymethyl)propan-1-ol

C8H18O4 — CID 542386

IUPAC3-methoxy-2,2-bis(methoxymethyl)propan-1-ol
SMILESCOCC(CO)(COC)COC
InChIInChI=1S/C8H18O4/c1-10-5-8(4-9,6-11-2)7-12-3/h9H,4-7H2,1-3H3
InChIKeyRNDZFNZUJTYGES-UHFFFAOYSA-N
MW178.23 g/mol
LogP-0.10
Rot. Bonds7

About 3-methoxy-2,2-bis(methoxymethyl)propan-1-ol

3-methoxy-2,2-bis(methoxymethyl)propan-1-ol (PubChem CID 542386) has the molecular formula C8H18O4 and a molecular weight of 178.23 g/mol. Its IUPAC name is 3-methoxy-2,2-bis(methoxymethyl)propan-1-ol.

Molecular Properties

Compound Name3-methoxy-2,2-bis(methoxymethyl)propan-1-ol
PubChem CID542386
Molecular FormulaC8H18O4
Molecular Weight178.23 g/mol
Exact Mass178.12
IUPAC Name3-methoxy-2,2-bis(methoxymethyl)propan-1-ol
SMILESCOCC(CO)(COC)COC
InChIInChI=1S/C8H18O4/c1-10-5-8(4-9,6-11-2)7-12-3/h9H,4-7H2,1-3H3
InChIKeyRNDZFNZUJTYGES-UHFFFAOYSA-N
XLogP-0.10
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2,2-bis(methoxymethyl)propan-1-ol?
The IUPAC name of 3-methoxy-2,2-bis(methoxymethyl)propan-1-ol (CID 542386) is 3-methoxy-2,2-bis(methoxymethyl)propan-1-ol.
What is the SMILES notation for 3-methoxy-2,2-bis(methoxymethyl)propan-1-ol?
The canonical SMILES for 3-methoxy-2,2-bis(methoxymethyl)propan-1-ol is COCC(CO)(COC)COC.
What is the InChIKey of 3-methoxy-2,2-bis(methoxymethyl)propan-1-ol?
The InChIKey is RNDZFNZUJTYGES-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O4/c1-10-5-8(4-9,6-11-2)7-12-3/h9H,4-7H2,1-3H3.
What are the key properties of 3-methoxy-2,2-bis(methoxymethyl)propan-1-ol?
3-methoxy-2,2-bis(methoxymethyl)propan-1-ol has a molecular weight of 178.23 g/mol, XLogP of -0.10, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2,2-bis(methoxymethyl)propan-1-ol is sourced from PubChem (CID 542386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).