henicosa-6,9,12,15,18-pentaen-2-ylcyclopropane

C24H38 — CID 123601956

IUPAChenicosa-6,9,12,15,18-pentaen-2-ylcyclopropane
SMILESCCC=CCC=CCC=CCC=CCC=CCCCC(C)C1CC1
InChIInChI=1S/C24H38/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23(2)24-21-22-24/h4-5,7-8,10-11,13-14,16-17,23-24H,3,6,9,12,15,18-22H2,1-2H3
InChIKeyULSZHMPYSIXNCG-UHFFFAOYSA-N
MW326.57 g/mol
LogP7.95
Rot. Bonds14

About henicosa-6,9,12,15,18-pentaen-2-ylcyclopropane

henicosa-6,9,12,15,18-pentaen-2-ylcyclopropane (PubChem CID 123601956) has the molecular formula C24H38 and a molecular weight of 326.57 g/mol. Its IUPAC name is henicosa-6,9,12,15,18-pentaen-2-ylcyclopropane.

Molecular Properties

Compound Namehenicosa-6,9,12,15,18-pentaen-2-ylcyclopropane
PubChem CID123601956
Molecular FormulaC24H38
Molecular Weight326.57 g/mol
Exact Mass326.30
IUPAC Namehenicosa-6,9,12,15,18-pentaen-2-ylcyclopropane
SMILESCCC=CCC=CCC=CCC=CCC=CCCCC(C)C1CC1
InChIInChI=1S/C24H38/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23(2)24-21-22-24/h4-5,7-8,10-11,13-14,16-17,23-24H,3,6,9,12,15,18-22H2,1-2H3
InChIKeyULSZHMPYSIXNCG-UHFFFAOYSA-N
XLogP7.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.57
LogP ≤ 57.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(3Z,6Z,9Z,12Z,15Z)-21-methyldocosa-3,6,9,12,15-pentaene
CID 173133172
8-methylnon-3-ene
CID 54424784
dec-7-ene-2,3-diol
CID 142773808
(E,2S)-non-6-en-2-ol
CID 12835465
8-methyldec-3-ene
CID 54115614
(Z)-non-6-en-2-ol
CID 12835464
heptadeca-3,6,12-triene
CID 54220025
2-methyloctadeca-9,12,15-trien-1-ol
CID 91232731
(3Z,6Z,9Z,26Z,29Z,32Z)-pentatriaconta-3,6,9,26,29,32-hexaen-18-ol
CID 121330977
(18Z)-22-bromodocosa-3,6,9,12,15,18-hexaene
CID 86759790
(4Z,7E,10E,13E,16E,19E)-docosa-4,7,10,13,16,19-hexaen-1-ol
CID 167993921
henicosa-3,6-diene
CID 72727393

Frequently Asked Questions

What is the IUPAC name of henicosa-6,9,12,15,18-pentaen-2-ylcyclopropane?
The IUPAC name of henicosa-6,9,12,15,18-pentaen-2-ylcyclopropane (CID 123601956) is henicosa-6,9,12,15,18-pentaen-2-ylcyclopropane.
What is the SMILES notation for henicosa-6,9,12,15,18-pentaen-2-ylcyclopropane?
The canonical SMILES for henicosa-6,9,12,15,18-pentaen-2-ylcyclopropane is CCC=CCC=CCC=CCC=CCC=CCCCC(C)C1CC1.
What is the InChIKey of henicosa-6,9,12,15,18-pentaen-2-ylcyclopropane?
The InChIKey is ULSZHMPYSIXNCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23(2)24-21-22-24/h4-5,7-8,10-11,13-14,16-17,23-24H,3,6,9,12,15,18-22H2,1-2H3.
What are the key properties of henicosa-6,9,12,15,18-pentaen-2-ylcyclopropane?
henicosa-6,9,12,15,18-pentaen-2-ylcyclopropane has a molecular weight of 326.57 g/mol, XLogP of 7.95, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for henicosa-6,9,12,15,18-pentaen-2-ylcyclopropane is sourced from PubChem (CID 123601956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).