1,4-dipentoxybenzene

C16H26O2 — CID 18314717

IUPAC1,4-dipentoxybenzene
SMILESCCCCCOc1ccc(OCCCCC)cc1
InChIInChI=1S/C16H26O2/c1-3-5-7-13-17-15-9-11-16(12-10-15)18-14-8-6-4-2/h9-12H,3-8,13-14H2,1-2H3
InChIKeyAZRBANUVPNINHV-UHFFFAOYSA-N
MW250.38 g/mol
LogP4.82
Rot. Bonds10

About 1,4-dipentoxybenzene

1,4-dipentoxybenzene (PubChem CID 18314717) has the molecular formula C16H26O2 and a molecular weight of 250.38 g/mol. Its IUPAC name is 1,4-dipentoxybenzene.

Molecular Properties

Compound Name1,4-dipentoxybenzene
PubChem CID18314717
Molecular FormulaC16H26O2
Molecular Weight250.38 g/mol
Exact Mass250.19
IUPAC Name1,4-dipentoxybenzene
SMILESCCCCCOc1ccc(OCCCCC)cc1
InChIInChI=1S/C16H26O2/c1-3-5-7-13-17-15-9-11-16(12-10-15)18-14-8-6-4-2/h9-12H,3-8,13-14H2,1-2H3
InChIKeyAZRBANUVPNINHV-UHFFFAOYSA-N
XLogP4.82
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.38
LogP ≤ 54.82
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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Related Compounds

1,4-di(tetradecoxy)benzene
CID 57023723
1,4-di(pentacontoxy)benzene
CID 88721659
1-heptoxy-4-(4-heptoxyphenyl)benzene
CID 53405189
1-hexadecoxy-4-(4-hexadecoxyphenyl)benzene
CID 100970451
1-methoxy-4-tetradecoxybenzene
CID 91712423
1-dodecoxy-4-[2-(4-dodecoxyphenyl)ethynyl]benzene
CID 11827720
4-octadecoxyphenol
CID 22179059
3-(4-hexoxyphenoxy)propan-1-amine
CID 90318959
pentoxybenzene;undecane
CID 174778179
1-octoxy-4-[1,2,2-tris(4-octoxyphenyl)ethenyl]benzene
CID 177402609
1-hexoxy-4-pentylbenzene
CID 54277450
bis(4-heptoxyphenyl)diazene
CID 13087198

Frequently Asked Questions

What is the IUPAC name of 1,4-dipentoxybenzene?
The IUPAC name of 1,4-dipentoxybenzene (CID 18314717) is 1,4-dipentoxybenzene.
What is the SMILES notation for 1,4-dipentoxybenzene?
The canonical SMILES for 1,4-dipentoxybenzene is CCCCCOc1ccc(OCCCCC)cc1.
What is the InChIKey of 1,4-dipentoxybenzene?
The InChIKey is AZRBANUVPNINHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O2/c1-3-5-7-13-17-15-9-11-16(12-10-15)18-14-8-6-4-2/h9-12H,3-8,13-14H2,1-2H3.
What are the key properties of 1,4-dipentoxybenzene?
1,4-dipentoxybenzene has a molecular weight of 250.38 g/mol, XLogP of 4.82, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dipentoxybenzene is sourced from PubChem (CID 18314717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).