3-decoxypropylbenzene

C19H32O — CID 150065328

IUPAC3-decoxypropylbenzene
SMILESCCCCCCCCCCOCCCc1ccccc1
InChIInChI=1S/C19H32O/c1-2-3-4-5-6-7-8-12-17-20-18-13-16-19-14-10-9-11-15-19/h9-11,14-15H,2-8,12-13,16-18H2,1H3
InChIKeyDODSPDWBZPVVHO-UHFFFAOYSA-N
MW276.46 g/mol
LogP5.78
Rot. Bonds13

About 3-decoxypropylbenzene

3-decoxypropylbenzene (PubChem CID 150065328) has the molecular formula C19H32O and a molecular weight of 276.46 g/mol. Its IUPAC name is 3-decoxypropylbenzene.

Molecular Properties

Compound Name3-decoxypropylbenzene
PubChem CID150065328
Molecular FormulaC19H32O
Molecular Weight276.46 g/mol
Exact Mass276.25
IUPAC Name3-decoxypropylbenzene
SMILESCCCCCCCCCCOCCCc1ccccc1
InChIInChI=1S/C19H32O/c1-2-3-4-5-6-7-8-12-17-20-18-13-16-19-14-10-9-11-15-19/h9-11,14-15H,2-8,12-13,16-18H2,1H3
InChIKeyDODSPDWBZPVVHO-UHFFFAOYSA-N
XLogP5.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.46
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-octadecoxybutylbenzene
CID 70977182
5-pentoxypentylbenzene
CID 19046566
4-heptoxybutylbenzene;methane
CID 158099440
carbanide;4-heptoxybutylbenzene
CID 158344773
10-butoxydecylbenzene
CID 151496754
2-pentoxyethylbenzene
CID 3022447
14-propoxytetradecylbenzene
CID 126562833
6-propoxyhexylbenzene
CID 54255597
4-heptoxybutylbenzene;octane;4-phenylbutan-1-ol
CID 157211945
4-heptoxybutylbenzene;methane;octane;4-phenylbutan-1-ol
CID 157096254
8-(8-phenyloctoxy)octylbenzene
CID 56628536
octaoctacontylbenzene
CID 165359374

Frequently Asked Questions

What is the IUPAC name of 3-decoxypropylbenzene?
The IUPAC name of 3-decoxypropylbenzene (CID 150065328) is 3-decoxypropylbenzene.
What is the SMILES notation for 3-decoxypropylbenzene?
The canonical SMILES for 3-decoxypropylbenzene is CCCCCCCCCCOCCCc1ccccc1.
What is the InChIKey of 3-decoxypropylbenzene?
The InChIKey is DODSPDWBZPVVHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32O/c1-2-3-4-5-6-7-8-12-17-20-18-13-16-19-14-10-9-11-15-19/h9-11,14-15H,2-8,12-13,16-18H2,1H3.
What are the key properties of 3-decoxypropylbenzene?
3-decoxypropylbenzene has a molecular weight of 276.46 g/mol, XLogP of 5.78, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-decoxypropylbenzene is sourced from PubChem (CID 150065328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).