3-pentoxypropylbenzene

C14H22O — CID 10584426

IUPAC3-pentoxypropylbenzene
SMILESCCCCCOCCCc1ccccc1
InChIInChI=1S/C14H22O/c1-2-3-7-12-15-13-8-11-14-9-5-4-6-10-14/h4-6,9-10H,2-3,7-8,11-13H2,1H3
InChIKeyFRGWOWNNHHPCIG-UHFFFAOYSA-N
MW206.33 g/mol
LogP3.83
Rot. Bonds8

About 3-pentoxypropylbenzene

3-pentoxypropylbenzene (PubChem CID 10584426) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is 3-pentoxypropylbenzene.

Molecular Properties

Compound Name3-pentoxypropylbenzene
PubChem CID10584426
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name3-pentoxypropylbenzene
SMILESCCCCCOCCCc1ccccc1
InChIInChI=1S/C14H22O/c1-2-3-7-12-15-13-8-11-14-9-5-4-6-10-14/h4-6,9-10H,2-3,7-8,11-13H2,1H3
InChIKeyFRGWOWNNHHPCIG-UHFFFAOYSA-N
XLogP3.83
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.83
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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Frequently Asked Questions

What is the IUPAC name of 3-pentoxypropylbenzene?
The IUPAC name of 3-pentoxypropylbenzene (CID 10584426) is 3-pentoxypropylbenzene.
What is the SMILES notation for 3-pentoxypropylbenzene?
The canonical SMILES for 3-pentoxypropylbenzene is CCCCCOCCCc1ccccc1.
What is the InChIKey of 3-pentoxypropylbenzene?
The InChIKey is FRGWOWNNHHPCIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O/c1-2-3-7-12-15-13-8-11-14-9-5-4-6-10-14/h4-6,9-10H,2-3,7-8,11-13H2,1H3.
What are the key properties of 3-pentoxypropylbenzene?
3-pentoxypropylbenzene has a molecular weight of 206.33 g/mol, XLogP of 3.83, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pentoxypropylbenzene is sourced from PubChem (CID 10584426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).