1-(5,5-dimethoxypentoxy)-3-hexoxybenzene

C19H32O4 — CID 68744497

IUPAC1-(5,5-dimethoxypentoxy)-3-hexoxybenzene
SMILESCCCCCCOc1cccc(OCCCCC(OC)OC)c1
InChIInChI=1S/C19H32O4/c1-4-5-6-8-14-22-17-11-10-12-18(16-17)23-15-9-7-13-19(20-2)21-3/h10-12,16,19H,4-9,13-15H2,1-3H3
InChIKeyVHMJJCCFFNOXCT-UHFFFAOYSA-N
MW324.46 g/mol
LogP4.81
Rot. Bonds14

About 1-(5,5-dimethoxypentoxy)-3-hexoxybenzene

1-(5,5-dimethoxypentoxy)-3-hexoxybenzene (PubChem CID 68744497) has the molecular formula C19H32O4 and a molecular weight of 324.46 g/mol. Its IUPAC name is 1-(5,5-dimethoxypentoxy)-3-hexoxybenzene.

Molecular Properties

Compound Name1-(5,5-dimethoxypentoxy)-3-hexoxybenzene
PubChem CID68744497
Molecular FormulaC19H32O4
Molecular Weight324.46 g/mol
Exact Mass324.23
IUPAC Name1-(5,5-dimethoxypentoxy)-3-hexoxybenzene
SMILESCCCCCCOc1cccc(OCCCCC(OC)OC)c1
InChIInChI=1S/C19H32O4/c1-4-5-6-8-14-22-17-11-10-12-18(16-17)23-15-9-7-13-19(20-2)21-3/h10-12,16,19H,4-9,13-15H2,1-3H3
InChIKeyVHMJJCCFFNOXCT-UHFFFAOYSA-N
XLogP4.81
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.46
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(methoxymethoxy)-3-octoxybenzene
CID 175530197
1,3-bis(2-hexoxyethoxy)benzene
CID 118037379
azane;1-ethoxy-3-pentoxybenzene
CID 68858003
1-methoxydecoxybenzene
CID 24977925
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
(3-hexoxyphenyl)boronic acid
CID 43145336
sodium 3-octoxyphenolate
CID 159078373

Frequently Asked Questions

What is the IUPAC name of 1-(5,5-dimethoxypentoxy)-3-hexoxybenzene?
The IUPAC name of 1-(5,5-dimethoxypentoxy)-3-hexoxybenzene (CID 68744497) is 1-(5,5-dimethoxypentoxy)-3-hexoxybenzene.
What is the SMILES notation for 1-(5,5-dimethoxypentoxy)-3-hexoxybenzene?
The canonical SMILES for 1-(5,5-dimethoxypentoxy)-3-hexoxybenzene is CCCCCCOc1cccc(OCCCCC(OC)OC)c1.
What is the InChIKey of 1-(5,5-dimethoxypentoxy)-3-hexoxybenzene?
The InChIKey is VHMJJCCFFNOXCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32O4/c1-4-5-6-8-14-22-17-11-10-12-18(16-17)23-15-9-7-13-19(20-2)21-3/h10-12,16,19H,4-9,13-15H2,1-3H3.
What are the key properties of 1-(5,5-dimethoxypentoxy)-3-hexoxybenzene?
1-(5,5-dimethoxypentoxy)-3-hexoxybenzene has a molecular weight of 324.46 g/mol, XLogP of 4.81, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,5-dimethoxypentoxy)-3-hexoxybenzene is sourced from PubChem (CID 68744497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).