(3-methoxy-3-methylbutyl) formate

C7H14O3 — CID 44602851

IUPAC(3-methoxy-3-methylbutyl) formate
SMILESCOC(C)(C)CCOC=O
InChIInChI=1S/C7H14O3/c1-7(2,9-3)4-5-10-6-8/h6H,4-5H2,1-3H3
InChIKeyZYGPSGPIOAXVIV-UHFFFAOYSA-N
MW146.19 g/mol
LogP0.97
Rot. Bonds5

About (3-methoxy-3-methylbutyl) formate

(3-methoxy-3-methylbutyl) formate (PubChem CID 44602851) has the molecular formula C7H14O3 and a molecular weight of 146.19 g/mol. Its IUPAC name is (3-methoxy-3-methylbutyl) formate.

Molecular Properties

Compound Name(3-methoxy-3-methylbutyl) formate
PubChem CID44602851
Molecular FormulaC7H14O3
Molecular Weight146.19 g/mol
Exact Mass146.09
IUPAC Name(3-methoxy-3-methylbutyl) formate
SMILESCOC(C)(C)CCOC=O
InChIInChI=1S/C7H14O3/c1-7(2,9-3)4-5-10-6-8/h6H,4-5H2,1-3H3
InChIKeyZYGPSGPIOAXVIV-UHFFFAOYSA-N
XLogP0.97
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3-methoxy-3-methylbutyl) formate?
The IUPAC name of (3-methoxy-3-methylbutyl) formate (CID 44602851) is (3-methoxy-3-methylbutyl) formate.
What is the SMILES notation for (3-methoxy-3-methylbutyl) formate?
The canonical SMILES for (3-methoxy-3-methylbutyl) formate is COC(C)(C)CCOC=O.
What is the InChIKey of (3-methoxy-3-methylbutyl) formate?
The InChIKey is ZYGPSGPIOAXVIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O3/c1-7(2,9-3)4-5-10-6-8/h6H,4-5H2,1-3H3.
What are the key properties of (3-methoxy-3-methylbutyl) formate?
(3-methoxy-3-methylbutyl) formate has a molecular weight of 146.19 g/mol, XLogP of 0.97, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-3-methylbutyl) formate is sourced from PubChem (CID 44602851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).