2,2,4-trimethoxy-3,4-dimethylpentane

C10H22O3 — CID 54389880

IUPAC2,2,4-trimethoxy-3,4-dimethylpentane
SMILESCOC(C)(C)C(C)C(C)(OC)OC
InChIInChI=1S/C10H22O3/c1-8(9(2,3)11-5)10(4,12-6)13-7/h8H,1-7H3
InChIKeyVFWJVQIUGMHHLY-UHFFFAOYSA-N
MW190.28 g/mol
LogP2.06
Rot. Bonds5

About 2,2,4-trimethoxy-3,4-dimethylpentane

2,2,4-trimethoxy-3,4-dimethylpentane (PubChem CID 54389880) has the molecular formula C10H22O3 and a molecular weight of 190.28 g/mol. Its IUPAC name is 2,2,4-trimethoxy-3,4-dimethylpentane.

Molecular Properties

Compound Name2,2,4-trimethoxy-3,4-dimethylpentane
PubChem CID54389880
Molecular FormulaC10H22O3
Molecular Weight190.28 g/mol
Exact Mass190.16
IUPAC Name2,2,4-trimethoxy-3,4-dimethylpentane
SMILESCOC(C)(C)C(C)C(C)(OC)OC
InChIInChI=1S/C10H22O3/c1-8(9(2,3)11-5)10(4,12-6)13-7/h8H,1-7H3
InChIKeyVFWJVQIUGMHHLY-UHFFFAOYSA-N
XLogP2.06
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.28
LogP ≤ 52.06
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

CID 136864
CID 136864
CID 144548
CID 144548
CID 129868813
CID 129868813
CID 10442233
CID 10442233
CID 87747556
CID 87747556
CID 89599758
CID 89599758
CID 90308316
CID 90308316
CID 122415406
CID 122415406
CID 122415442
CID 122415442
CID 139962187
CID 139962187
CID 139986615
CID 139986615
CID 142052491
CID 142052491

Frequently Asked Questions

What is the IUPAC name of 2,2,4-trimethoxy-3,4-dimethylpentane?
The IUPAC name of 2,2,4-trimethoxy-3,4-dimethylpentane (CID 54389880) is 2,2,4-trimethoxy-3,4-dimethylpentane.
What is the SMILES notation for 2,2,4-trimethoxy-3,4-dimethylpentane?
The canonical SMILES for 2,2,4-trimethoxy-3,4-dimethylpentane is COC(C)(C)C(C)C(C)(OC)OC.
What is the InChIKey of 2,2,4-trimethoxy-3,4-dimethylpentane?
The InChIKey is VFWJVQIUGMHHLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O3/c1-8(9(2,3)11-5)10(4,12-6)13-7/h8H,1-7H3.
What are the key properties of 2,2,4-trimethoxy-3,4-dimethylpentane?
2,2,4-trimethoxy-3,4-dimethylpentane has a molecular weight of 190.28 g/mol, XLogP of 2.06, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4-trimethoxy-3,4-dimethylpentane is sourced from PubChem (CID 54389880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).