2-[4-(11-cyclopropylundecoxy)phenyl]-5-octylpyridine

C33H51NO — CID 14474661

IUPAC2-[4-(11-cyclopropylundecoxy)phenyl]-5-octylpyridine
SMILESCCCCCCCCc1ccc(-c2ccc(OCCCCCCCCCCCC3CC3)cc2)nc1
InChIInChI=1S/C33H51NO/c1-2-3-4-5-11-15-18-30-21-26-33(34-28-30)31-22-24-32(25-23-31)35-27-16-13-10-8-6-7-9-12-14-17-29-19-20-29/h21-26,28-29H,2-20,27H2,1H3
InChIKeyFDDCHKWUZHWKDQ-UHFFFAOYSA-N
MW477.78 g/mol
LogP10.34
Rot. Bonds21

About 2-[4-(11-cyclopropylundecoxy)phenyl]-5-octylpyridine

2-[4-(11-cyclopropylundecoxy)phenyl]-5-octylpyridine (PubChem CID 14474661) has the molecular formula C33H51NO and a molecular weight of 477.78 g/mol. Its IUPAC name is 2-[4-(11-cyclopropylundecoxy)phenyl]-5-octylpyridine.

Molecular Properties

Compound Name2-[4-(11-cyclopropylundecoxy)phenyl]-5-octylpyridine
PubChem CID14474661
Molecular FormulaC33H51NO
Molecular Weight477.78 g/mol
Exact Mass477.40
IUPAC Name2-[4-(11-cyclopropylundecoxy)phenyl]-5-octylpyridine
SMILESCCCCCCCCc1ccc(-c2ccc(OCCCCCCCCCCCC3CC3)cc2)nc1
InChIInChI=1S/C33H51NO/c1-2-3-4-5-11-15-18-30-21-26-33(34-28-30)31-22-24-32(25-23-31)35-27-16-13-10-8-6-7-9-12-14-17-29-19-20-29/h21-26,28-29H,2-20,27H2,1H3
InChIKeyFDDCHKWUZHWKDQ-UHFFFAOYSA-N
XLogP10.34
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds21
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.78
LogP ≤ 510.34
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

2-[4-(7-cyclopentylheptoxy)phenyl]-5-nonylpyridine
CID 19083479
2-[4-(8-cyclopentyloctoxy)phenyl]-5-octylpyridine
CID 19083523
2-[4-(7-cyclopentylheptoxy)phenyl]-5-heptylpyridine
CID 19083555
5-butyl-2-[4-[3-(4-heptylcyclohexyl)propoxy]phenyl]pyridine
CID 19738977
5-[2-(4-hexylcyclohexyl)ethyl]-2-(4-pentoxyphenyl)pyridine
CID 18609207
5-[2-(4-butylcyclohexyl)ethyl]-2-(4-hexoxyphenyl)pyridine
CID 18609195
5-heptyl-2-[4-[4-(4-pentylcyclohexyl)butyl]phenyl]pyridine
CID 154424950
5-decyl-2-[4-[4-(4-pentylcyclohexyl)butyl]phenyl]pyridine
CID 154424953
5-hexyl-2-[4-[4-(4-pentylcyclohexyl)butyl]phenyl]pyridine
CID 154424949
5-dodecyl-2-(4-octoxyphenyl)pyridine
CID 139626618
2-[4-[2-(4-heptylcyclohexyl)ethyl]phenyl]-5-hexoxypyridine
CID 18609110
5-octyl-2-[4-[2-(4-pentylcyclohexyl)ethyl]phenyl]pyridine
CID 18609154

Frequently Asked Questions

What is the IUPAC name of 2-[4-(11-cyclopropylundecoxy)phenyl]-5-octylpyridine?
The IUPAC name of 2-[4-(11-cyclopropylundecoxy)phenyl]-5-octylpyridine (CID 14474661) is 2-[4-(11-cyclopropylundecoxy)phenyl]-5-octylpyridine.
What is the SMILES notation for 2-[4-(11-cyclopropylundecoxy)phenyl]-5-octylpyridine?
The canonical SMILES for 2-[4-(11-cyclopropylundecoxy)phenyl]-5-octylpyridine is CCCCCCCCc1ccc(-c2ccc(OCCCCCCCCCCCC3CC3)cc2)nc1.
What is the InChIKey of 2-[4-(11-cyclopropylundecoxy)phenyl]-5-octylpyridine?
The InChIKey is FDDCHKWUZHWKDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H51NO/c1-2-3-4-5-11-15-18-30-21-26-33(34-28-30)31-22-24-32(25-23-31)35-27-16-13-10-8-6-7-9-12-14-17-29-19-20-29/h21-26,28-29H,2-20,27H2,1H3.
What are the key properties of 2-[4-(11-cyclopropylundecoxy)phenyl]-5-octylpyridine?
2-[4-(11-cyclopropylundecoxy)phenyl]-5-octylpyridine has a molecular weight of 477.78 g/mol, XLogP of 10.34, 21 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(11-cyclopropylundecoxy)phenyl]-5-octylpyridine is sourced from PubChem (CID 14474661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).