14-propoxytetradecylbenzene

C23H40O — CID 126562833

IUPAC14-propoxytetradecylbenzene
SMILESCCCOCCCCCCCCCCCCCCc1ccccc1
InChIInChI=1S/C23H40O/c1-2-21-24-22-17-12-10-8-6-4-3-5-7-9-11-14-18-23-19-15-13-16-20-23/h13,15-16,19-20H,2-12,14,17-18,21-22H2,1H3
InChIKeyRSQKDRPWWKNJHC-UHFFFAOYSA-N
MW332.57 g/mol
LogP7.34
Rot. Bonds17

About 14-propoxytetradecylbenzene

14-propoxytetradecylbenzene (PubChem CID 126562833) has the molecular formula C23H40O and a molecular weight of 332.57 g/mol. Its IUPAC name is 14-propoxytetradecylbenzene.

Molecular Properties

Compound Name14-propoxytetradecylbenzene
PubChem CID126562833
Molecular FormulaC23H40O
Molecular Weight332.57 g/mol
Exact Mass332.31
IUPAC Name14-propoxytetradecylbenzene
SMILESCCCOCCCCCCCCCCCCCCc1ccccc1
InChIInChI=1S/C23H40O/c1-2-21-24-22-17-12-10-8-6-4-3-5-7-9-11-14-18-23-19-15-13-16-20-23/h13,15-16,19-20H,2-12,14,17-18,21-22H2,1H3
InChIKeyRSQKDRPWWKNJHC-UHFFFAOYSA-N
XLogP7.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.57
LogP ≤ 57.34
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

6-propoxyhexylbenzene
CID 54255597
10-butoxydecylbenzene
CID 151496754
4-octadecoxybutylbenzene
CID 70977182
5-pentoxypentylbenzene
CID 19046566
carbanide;4-heptoxybutylbenzene
CID 158344773
4-heptoxybutylbenzene;methane
CID 158099440
8-(8-phenyloctoxy)octylbenzene
CID 56628536
3-decoxypropylbenzene
CID 150065328
6-ethoxyhexylbenzene
CID 54300935
4-heptoxybutylbenzene;octane;4-phenylbutan-1-ol
CID 157211945
4-heptoxybutylbenzene;methane;octane;4-phenylbutan-1-ol
CID 157096254
2-pentoxyethylbenzene
CID 3022447

Frequently Asked Questions

What is the IUPAC name of 14-propoxytetradecylbenzene?
The IUPAC name of 14-propoxytetradecylbenzene (CID 126562833) is 14-propoxytetradecylbenzene.
What is the SMILES notation for 14-propoxytetradecylbenzene?
The canonical SMILES for 14-propoxytetradecylbenzene is CCCOCCCCCCCCCCCCCCc1ccccc1.
What is the InChIKey of 14-propoxytetradecylbenzene?
The InChIKey is RSQKDRPWWKNJHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H40O/c1-2-21-24-22-17-12-10-8-6-4-3-5-7-9-11-14-18-23-19-15-13-16-20-23/h13,15-16,19-20H,2-12,14,17-18,21-22H2,1H3.
What are the key properties of 14-propoxytetradecylbenzene?
14-propoxytetradecylbenzene has a molecular weight of 332.57 g/mol, XLogP of 7.34, 17 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 14-propoxytetradecylbenzene is sourced from PubChem (CID 126562833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).