6-ethoxyhexylbenzene

C14H22O — CID 54300935

IUPAC6-ethoxyhexylbenzene
SMILESCCOCCCCCCc1ccccc1
InChIInChI=1S/C14H22O/c1-2-15-13-9-4-3-6-10-14-11-7-5-8-12-14/h5,7-8,11-12H,2-4,6,9-10,13H2,1H3
InChIKeyBEVDCHCSQVXWTM-UHFFFAOYSA-N
MW206.33 g/mol
LogP3.83
Rot. Bonds8

About 6-ethoxyhexylbenzene

6-ethoxyhexylbenzene (PubChem CID 54300935) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is 6-ethoxyhexylbenzene.

Molecular Properties

Compound Name6-ethoxyhexylbenzene
PubChem CID54300935
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name6-ethoxyhexylbenzene
SMILESCCOCCCCCCc1ccccc1
InChIInChI=1S/C14H22O/c1-2-15-13-9-4-3-6-10-14-11-7-5-8-12-14/h5,7-8,11-12H,2-4,6,9-10,13H2,1H3
InChIKeyBEVDCHCSQVXWTM-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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Related Compounds

8-(8-phenyloctoxy)octylbenzene
CID 56628536
10-butoxydecylbenzene
CID 151496754
14-propoxytetradecylbenzene
CID 126562833
6-propoxyhexylbenzene
CID 54255597
4-octadecoxybutylbenzene
CID 70977182
5-pentoxypentylbenzene
CID 19046566
4-heptoxybutylbenzene;methane
CID 158099440
carbanide;4-heptoxybutylbenzene
CID 158344773
3-decoxypropylbenzene
CID 150065328
7-methoxyheptylbenzene
CID 54276867
4-heptoxybutylbenzene;octane;4-phenylbutan-1-ol
CID 157211945
4-(8-bromooctoxy)butylbenzene
CID 67807190

Frequently Asked Questions

What is the IUPAC name of 6-ethoxyhexylbenzene?
The IUPAC name of 6-ethoxyhexylbenzene (CID 54300935) is 6-ethoxyhexylbenzene.
What is the SMILES notation for 6-ethoxyhexylbenzene?
The canonical SMILES for 6-ethoxyhexylbenzene is CCOCCCCCCc1ccccc1.
What is the InChIKey of 6-ethoxyhexylbenzene?
The InChIKey is BEVDCHCSQVXWTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O/c1-2-15-13-9-4-3-6-10-14-11-7-5-8-12-14/h5,7-8,11-12H,2-4,6,9-10,13H2,1H3.
What are the key properties of 6-ethoxyhexylbenzene?
6-ethoxyhexylbenzene 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 6-ethoxyhexylbenzene is sourced from PubChem (CID 54300935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).