1-methoxy-3-(2-methoxyethyl)octane

C12H26O2 — CID 22445890

IUPAC1-methoxy-3-(2-methoxyethyl)octane
SMILESCCCCCC(CCOC)CCOC
InChIInChI=1S/C12H26O2/c1-4-5-6-7-12(8-10-13-2)9-11-14-3/h12H,4-11H2,1-3H3
InChIKeyHDSLBEWMNCIGAQ-UHFFFAOYSA-N
MW202.34 g/mol
LogP3.26
Rot. Bonds10

About 1-methoxy-3-(2-methoxyethyl)octane

1-methoxy-3-(2-methoxyethyl)octane (PubChem CID 22445890) has the molecular formula C12H26O2 and a molecular weight of 202.34 g/mol. Its IUPAC name is 1-methoxy-3-(2-methoxyethyl)octane.

Molecular Properties

Compound Name1-methoxy-3-(2-methoxyethyl)octane
PubChem CID22445890
Molecular FormulaC12H26O2
Molecular Weight202.34 g/mol
Exact Mass202.19
IUPAC Name1-methoxy-3-(2-methoxyethyl)octane
SMILESCCCCCC(CCOC)CCOC
InChIInChI=1S/C12H26O2/c1-4-5-6-7-12(8-10-13-2)9-11-14-3/h12H,4-11H2,1-3H3
InChIKeyHDSLBEWMNCIGAQ-UHFFFAOYSA-N
XLogP3.26
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 53.26
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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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-(2-methoxyethyl)octane?
The IUPAC name of 1-methoxy-3-(2-methoxyethyl)octane (CID 22445890) is 1-methoxy-3-(2-methoxyethyl)octane.
What is the SMILES notation for 1-methoxy-3-(2-methoxyethyl)octane?
The canonical SMILES for 1-methoxy-3-(2-methoxyethyl)octane is CCCCCC(CCOC)CCOC.
What is the InChIKey of 1-methoxy-3-(2-methoxyethyl)octane?
The InChIKey is HDSLBEWMNCIGAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O2/c1-4-5-6-7-12(8-10-13-2)9-11-14-3/h12H,4-11H2,1-3H3.
What are the key properties of 1-methoxy-3-(2-methoxyethyl)octane?
1-methoxy-3-(2-methoxyethyl)octane has a molecular weight of 202.34 g/mol, XLogP of 3.26, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-(2-methoxyethyl)octane is sourced from PubChem (CID 22445890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).