1-(2-methoxyethoxy)-3,4,4-trimethylpentane

C11H24O2 — CID 157211030

IUPAC1-(2-methoxyethoxy)-3,4,4-trimethylpentane
SMILESCOCCOCCC(C)C(C)(C)C
InChIInChI=1S/C11H24O2/c1-10(11(2,3)4)6-7-13-9-8-12-5/h10H,6-9H2,1-5H3
InChIKeyPCBSEDWKBZRPJR-UHFFFAOYSA-N
MW188.31 g/mol
LogP2.72
Rot. Bonds6

About 1-(2-methoxyethoxy)-3,4,4-trimethylpentane

1-(2-methoxyethoxy)-3,4,4-trimethylpentane (PubChem CID 157211030) has the molecular formula C11H24O2 and a molecular weight of 188.31 g/mol. Its IUPAC name is 1-(2-methoxyethoxy)-3,4,4-trimethylpentane.

Molecular Properties

Compound Name1-(2-methoxyethoxy)-3,4,4-trimethylpentane
PubChem CID157211030
Molecular FormulaC11H24O2
Molecular Weight188.31 g/mol
Exact Mass188.18
IUPAC Name1-(2-methoxyethoxy)-3,4,4-trimethylpentane
SMILESCOCCOCCC(C)C(C)(C)C
InChIInChI=1S/C11H24O2/c1-10(11(2,3)4)6-7-13-9-8-12-5/h10H,6-9H2,1-5H3
InChIKeyPCBSEDWKBZRPJR-UHFFFAOYSA-N
XLogP2.72
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(2-methoxyethoxy)butan-2-ol
CID 21045149
1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 87439194
1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane
CID 8189
1,2-dimethoxyethane;1-methoxy-2-(2-methoxyethoxy)ethane;1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane;1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 159847962
2-(2-methoxyethoxy)ethyl-trimethylphosphanium
CID 88850775
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3-methylpentane
CID 126547555
3-(bromomethyl)-1-[2-(2-methoxyethoxy)ethoxy]-4-methylpentane
CID 104568738
CID 172826348
CID 172826348
lithium bis(1-methoxy-2-(2-methoxyethoxy)ethane)
CID 5257331
1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane;neodymium
CID 161321430
CID 173303266
CID 173303266
1-methoxy-2-(2-methoxyethoxy)ethane;tellane
CID 175355772

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethoxy)-3,4,4-trimethylpentane?
The IUPAC name of 1-(2-methoxyethoxy)-3,4,4-trimethylpentane (CID 157211030) is 1-(2-methoxyethoxy)-3,4,4-trimethylpentane.
What is the SMILES notation for 1-(2-methoxyethoxy)-3,4,4-trimethylpentane?
The canonical SMILES for 1-(2-methoxyethoxy)-3,4,4-trimethylpentane is COCCOCCC(C)C(C)(C)C.
What is the InChIKey of 1-(2-methoxyethoxy)-3,4,4-trimethylpentane?
The InChIKey is PCBSEDWKBZRPJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O2/c1-10(11(2,3)4)6-7-13-9-8-12-5/h10H,6-9H2,1-5H3.
What are the key properties of 1-(2-methoxyethoxy)-3,4,4-trimethylpentane?
1-(2-methoxyethoxy)-3,4,4-trimethylpentane has a molecular weight of 188.31 g/mol, XLogP of 2.72, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethoxy)-3,4,4-trimethylpentane is sourced from PubChem (CID 157211030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).