3-[3,5-bis[(E)-dec-1-enyl]-4,6-dimethyl-2-pyridinyl]propan-1-ol

C30H51NO — CID 54753039

IUPAC3-[3,5-bis[(E)-dec-1-enyl]-4,6-dimethyl-2-pyridinyl]propan-1-ol
SMILESCCCCCCCC/C=C/c1c(C)nc(CCCO)c(/C=C/CCCCCCCC)c1C
InChIInChI=1S/C30H51NO/c1-5-7-9-11-13-15-17-19-22-28-26(3)29(30(24-21-25-32)31-27(28)4)23-20-18-16-14-12-10-8-6-2/h19-20,22-23,32H,5-18,21,24-25H2,1-4H3/b22-19+,23-20+
InChIKeyBBIHADVXXJRNBU-WDAKLKSISA-N
MW441.74 g/mol
LogP9.15
Rot. Bonds19

About 3-[3,5-bis[(E)-dec-1-enyl]-4,6-dimethyl-2-pyridinyl]propan-1-ol

3-[3,5-bis[(E)-dec-1-enyl]-4,6-dimethyl-2-pyridinyl]propan-1-ol (PubChem CID 54753039) has the molecular formula C30H51NO and a molecular weight of 441.74 g/mol. Its IUPAC name is 3-[3,5-bis[(E)-dec-1-enyl]-4,6-dimethyl-2-pyridinyl]propan-1-ol.

Molecular Properties

Compound Name3-[3,5-bis[(E)-dec-1-enyl]-4,6-dimethyl-2-pyridinyl]propan-1-ol
PubChem CID54753039
Molecular FormulaC30H51NO
Molecular Weight441.74 g/mol
Exact Mass441.40
IUPAC Name3-[3,5-bis[(E)-dec-1-enyl]-4,6-dimethyl-2-pyridinyl]propan-1-ol
SMILESCCCCCCCC/C=C/c1c(C)nc(CCCO)c(/C=C/CCCCCCCC)c1C
InChIInChI=1S/C30H51NO/c1-5-7-9-11-13-15-17-19-22-28-26(3)29(30(24-21-25-32)31-27(28)4)23-20-18-16-14-12-10-8-6-2/h19-20,22-23,32H,5-18,21,24-25H2,1-4H3/b22-19+,23-20+
InChIKeyBBIHADVXXJRNBU-WDAKLKSISA-N
XLogP9.15
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.74
LogP ≤ 59.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[3,5-bis[(E)-dec-1-enyl]-4,6-dimethyl-2-pyridinyl]propan-1-ol with MolForge

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Related Compounds

3-[5-[(Z)-dec-1-enyl]-3-[(E)-dec-1-enyl]-4,6-dimethyl-2-pyridinyl]propan-1-ol
CID 54753193
3,5-bis[(Z)-dec-1-enyl]-2-[3-[(4-methoxyphenyl)methoxy]propyl]-4,6-dimethylpyridine
CID 16658559
3-[(Z)-dec-1-enyl]-2,4,6-trimethylpyridine
CID 70694935
(E)-docos-9-en-1-ol
CID 23502502
henicos-10-en-1-ol
CID 86069169
(Z)-octadec-7-en-1-ol
CID 13338918
(E)-heptadec-7-en-1-ol
CID 19790013
(5Z,11Z)-icosa-5,11-dien-1-ol
CID 51353972
hexacos-17-en-1-ol
CID 139697197
(E)-henicos-12-en-1-ol
CID 19702453
(E)-heptadec-5-en-1-ol
CID 170849266
octadec-9-en-1-ol
CID 8927

Frequently Asked Questions

What is the IUPAC name of 3-[3,5-bis[(E)-dec-1-enyl]-4,6-dimethyl-2-pyridinyl]propan-1-ol?
The IUPAC name of 3-[3,5-bis[(E)-dec-1-enyl]-4,6-dimethyl-2-pyridinyl]propan-1-ol (CID 54753039) is 3-[3,5-bis[(E)-dec-1-enyl]-4,6-dimethyl-2-pyridinyl]propan-1-ol.
What is the SMILES notation for 3-[3,5-bis[(E)-dec-1-enyl]-4,6-dimethyl-2-pyridinyl]propan-1-ol?
The canonical SMILES for 3-[3,5-bis[(E)-dec-1-enyl]-4,6-dimethyl-2-pyridinyl]propan-1-ol is CCCCCCCC/C=C/c1c(C)nc(CCCO)c(/C=C/CCCCCCCC)c1C.
What is the InChIKey of 3-[3,5-bis[(E)-dec-1-enyl]-4,6-dimethyl-2-pyridinyl]propan-1-ol?
The InChIKey is BBIHADVXXJRNBU-WDAKLKSISA-N. The full InChI is InChI=1S/C30H51NO/c1-5-7-9-11-13-15-17-19-22-28-26(3)29(30(24-21-25-32)31-27(28)4)23-20-18-16-14-12-10-8-6-2/h19-20,22-23,32H,5-18,21,24-25H2,1-4H3/b22-19+,23-20+.
What are the key properties of 3-[3,5-bis[(E)-dec-1-enyl]-4,6-dimethyl-2-pyridinyl]propan-1-ol?
3-[3,5-bis[(E)-dec-1-enyl]-4,6-dimethyl-2-pyridinyl]propan-1-ol has a molecular weight of 441.74 g/mol, XLogP of 9.15, 19 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,5-bis[(E)-dec-1-enyl]-4,6-dimethyl-2-pyridinyl]propan-1-ol is sourced from PubChem (CID 54753039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).