3-(1-methoxyethoxy)hexane

C9H20O2 — CID 145051636

IUPAC3-(1-methoxyethoxy)hexane
SMILESCCCC(CC)OC(C)OC
InChIInChI=1S/C9H20O2/c1-5-7-9(6-2)11-8(3)10-4/h8-9H,5-7H2,1-4H3
InChIKeyNIXFGLUHLSYJGW-UHFFFAOYSA-N
MW160.26 g/mol
LogP2.57
Rot. Bonds6

About 3-(1-methoxyethoxy)hexane

3-(1-methoxyethoxy)hexane (PubChem CID 145051636) has the molecular formula C9H20O2 and a molecular weight of 160.26 g/mol. Its IUPAC name is 3-(1-methoxyethoxy)hexane.

Molecular Properties

Compound Name3-(1-methoxyethoxy)hexane
PubChem CID145051636
Molecular FormulaC9H20O2
Molecular Weight160.26 g/mol
Exact Mass160.15
IUPAC Name3-(1-methoxyethoxy)hexane
SMILESCCCC(CC)OC(C)OC
InChIInChI=1S/C9H20O2/c1-5-7-9(6-2)11-8(3)10-4/h8-9H,5-7H2,1-4H3
InChIKeyNIXFGLUHLSYJGW-UHFFFAOYSA-N
XLogP2.57
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 3-(1-methoxyethoxy)hexane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-hexan-3-yloxyhexane;trimethoxysilane
CID 175116578
1-(1-methoxyethoxy)butan-1-amine
CID 19838576
2-pentan-3-yloxypentane
CID 91256227
1-hexan-3-yloxy-1-methoxy-3,3-dimethylbutane
CID 144561309
cyanic acid;3-methoxyhexane
CID 88754292
(3S)-1-[(2R)-butan-2-yl]oxy-3-methoxyhexane
CID 89015746
hexan-3-yloxyalumane
CID 173043505
3-ethyl-1-(1-methoxyethoxy)hexane
CID 145144290
3,6-di(propan-2-yloxy)octane
CID 175258426
1,2-dimethoxypentane
CID 22961171
trihexan-3-yl phosphite
CID 88792462
2-methyl-4-(2-methylheptan-4-yloxy)heptane
CID 22758032

Frequently Asked Questions

What is the IUPAC name of 3-(1-methoxyethoxy)hexane?
The IUPAC name of 3-(1-methoxyethoxy)hexane (CID 145051636) is 3-(1-methoxyethoxy)hexane.
What is the SMILES notation for 3-(1-methoxyethoxy)hexane?
The canonical SMILES for 3-(1-methoxyethoxy)hexane is CCCC(CC)OC(C)OC.
What is the InChIKey of 3-(1-methoxyethoxy)hexane?
The InChIKey is NIXFGLUHLSYJGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O2/c1-5-7-9(6-2)11-8(3)10-4/h8-9H,5-7H2,1-4H3.
What are the key properties of 3-(1-methoxyethoxy)hexane?
3-(1-methoxyethoxy)hexane has a molecular weight of 160.26 g/mol, XLogP of 2.57, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methoxyethoxy)hexane is sourced from PubChem (CID 145051636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).