1-(methoxymethoxy)-3-octoxybenzene

C16H26O3 — CID 175530197

IUPAC1-(methoxymethoxy)-3-octoxybenzene
SMILESCCCCCCCCOc1cccc(OCOC)c1
InChIInChI=1S/C16H26O3/c1-3-4-5-6-7-8-12-18-15-10-9-11-16(13-15)19-14-17-2/h9-11,13H,3-8,12,14H2,1-2H3
InChIKeyAQASBOXAHNCOPX-UHFFFAOYSA-N
MW266.38 g/mol
LogP4.41
Rot. Bonds11

About 1-(methoxymethoxy)-3-octoxybenzene

1-(methoxymethoxy)-3-octoxybenzene (PubChem CID 175530197) has the molecular formula C16H26O3 and a molecular weight of 266.38 g/mol. Its IUPAC name is 1-(methoxymethoxy)-3-octoxybenzene.

Molecular Properties

Compound Name1-(methoxymethoxy)-3-octoxybenzene
PubChem CID175530197
Molecular FormulaC16H26O3
Molecular Weight266.38 g/mol
Exact Mass266.19
IUPAC Name1-(methoxymethoxy)-3-octoxybenzene
SMILESCCCCCCCCOc1cccc(OCOC)c1
InChIInChI=1S/C16H26O3/c1-3-4-5-6-7-8-12-18-15-10-9-11-16(13-15)19-14-17-2/h9-11,13H,3-8,12,14H2,1-2H3
InChIKeyAQASBOXAHNCOPX-UHFFFAOYSA-N
XLogP4.41
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,3-dihexadecoxybenzene
CID 12686834
1,3-bis(2-hexoxyethoxy)benzene
CID 118037379
azane;1-ethoxy-3-pentoxybenzene
CID 68858003
1-(5,5-dimethoxypentoxy)-3-hexoxybenzene
CID 68744497
1-methyl-3-pentadecoxybenzene
CID 154641822
1-hexadecoxy-3-methylbenzene
CID 154641790
1-octoxy-3-prop-2-enoxybenzene
CID 14202237
3-dodecoxyphenol
CID 15719132
tris(3-tetradecoxyphenyl) phosphate
CID 139759715
sodium 3-octoxyphenolate
CID 159078373
pentoxybenzene;undecane
CID 174778179
1-(butoxymethoxy)-3-methoxybenzene
CID 142960722

Frequently Asked Questions

What is the IUPAC name of 1-(methoxymethoxy)-3-octoxybenzene?
The IUPAC name of 1-(methoxymethoxy)-3-octoxybenzene (CID 175530197) is 1-(methoxymethoxy)-3-octoxybenzene.
What is the SMILES notation for 1-(methoxymethoxy)-3-octoxybenzene?
The canonical SMILES for 1-(methoxymethoxy)-3-octoxybenzene is CCCCCCCCOc1cccc(OCOC)c1.
What is the InChIKey of 1-(methoxymethoxy)-3-octoxybenzene?
The InChIKey is AQASBOXAHNCOPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O3/c1-3-4-5-6-7-8-12-18-15-10-9-11-16(13-15)19-14-17-2/h9-11,13H,3-8,12,14H2,1-2H3.
What are the key properties of 1-(methoxymethoxy)-3-octoxybenzene?
1-(methoxymethoxy)-3-octoxybenzene has a molecular weight of 266.38 g/mol, XLogP of 4.41, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methoxymethoxy)-3-octoxybenzene is sourced from PubChem (CID 175530197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).