1-(3-hexoxy-2-methoxypropoxy)hexane

C16H34O3 — CID 163381100

IUPAC1-(3-hexoxy-2-methoxypropoxy)hexane
SMILESCCCCCCOCC(COCCCCCC)OC
InChIInChI=1S/C16H34O3/c1-4-6-8-10-12-18-14-16(17-3)15-19-13-11-9-7-5-2/h16H,4-15H2,1-3H3
InChIKeyXPCBHQLTRQQLHF-UHFFFAOYSA-N
MW274.44 g/mol
LogP4.20
Rot. Bonds15

About 1-(3-hexoxy-2-methoxypropoxy)hexane

1-(3-hexoxy-2-methoxypropoxy)hexane (PubChem CID 163381100) has the molecular formula C16H34O3 and a molecular weight of 274.44 g/mol. Its IUPAC name is 1-(3-hexoxy-2-methoxypropoxy)hexane.

Molecular Properties

Compound Name1-(3-hexoxy-2-methoxypropoxy)hexane
PubChem CID163381100
Molecular FormulaC16H34O3
Molecular Weight274.44 g/mol
Exact Mass274.25
IUPAC Name1-(3-hexoxy-2-methoxypropoxy)hexane
SMILESCCCCCCOCC(COCCCCCC)OC
InChIInChI=1S/C16H34O3/c1-4-6-8-10-12-18-14-16(17-3)15-19-13-11-9-7-5-2/h16H,4-15H2,1-3H3
InChIKeyXPCBHQLTRQQLHF-UHFFFAOYSA-N
XLogP4.20
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.44
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(3-hexoxy-2-methoxypropoxy)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

methane;1-(2-methoxybutoxy)hexadecane
CID 161162906
(2R)-3-hexadecoxy-2-methoxypropan-1-ol
CID 10065250
3-hexadecoxy-2-methoxypropan-1-amine
CID 14992264
10-(3-hexadecoxy-2-methoxypropoxy)decyl-trimethylazanium
CID 14654659
(3S)-4-hexadecoxy-3-methoxybutan-1-ol
CID 11393808
dihydroxy-[(2R)-2-methoxy-3-octadecoxypropoxy]-sulfanylidene-λ5-phosphane
CID 71719457
methanesulfonic acid;(2R)-2-methoxy-3-octadecoxypropan-1-ol
CID 71407762
fluoro-(2-methoxy-3-tetradecoxypropoxy)phosphinic acid
CID 11689532
1-[2,3-di(tridecoxy)propoxy]tridecane
CID 71331054
1-[2,3-di(octacosoxy)propoxy]octacosane
CID 139785017
1-[2-methoxy-4-[methoxy(methyl)phosphoryl]oxybutoxy]hexadecane
CID 57288612
1-(2-methylpropoxy)tridecane
CID 91526471

Frequently Asked Questions

What is the IUPAC name of 1-(3-hexoxy-2-methoxypropoxy)hexane?
The IUPAC name of 1-(3-hexoxy-2-methoxypropoxy)hexane (CID 163381100) is 1-(3-hexoxy-2-methoxypropoxy)hexane.
What is the SMILES notation for 1-(3-hexoxy-2-methoxypropoxy)hexane?
The canonical SMILES for 1-(3-hexoxy-2-methoxypropoxy)hexane is CCCCCCOCC(COCCCCCC)OC.
What is the InChIKey of 1-(3-hexoxy-2-methoxypropoxy)hexane?
The InChIKey is XPCBHQLTRQQLHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O3/c1-4-6-8-10-12-18-14-16(17-3)15-19-13-11-9-7-5-2/h16H,4-15H2,1-3H3.
What are the key properties of 1-(3-hexoxy-2-methoxypropoxy)hexane?
1-(3-hexoxy-2-methoxypropoxy)hexane has a molecular weight of 274.44 g/mol, XLogP of 4.20, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hexoxy-2-methoxypropoxy)hexane is sourced from PubChem (CID 163381100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).