henicos-1-ene

C21H42 — CID 3015374

IUPAChenicos-1-ene
SMILESC=CCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C21H42/c1-3-5-7-9-11-13-15-17-19-21-20-18-16-14-12-10-8-6-4-2/h3H,1,4-21H2,2H3
InChIKeyJTOGFHAZQVDOAO-UHFFFAOYSA-N
MW294.57 g/mol
LogP8.21
Rot. Bonds18

About henicos-1-ene

henicos-1-ene (PubChem CID 3015374) has the molecular formula C21H42 and a molecular weight of 294.57 g/mol. Its IUPAC name is henicos-1-ene.

Molecular Properties

Compound Namehenicos-1-ene
PubChem CID3015374
Molecular FormulaC21H42
Molecular Weight294.57 g/mol
Exact Mass294.33
IUPAC Namehenicos-1-ene
SMILESC=CCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C21H42/c1-3-5-7-9-11-13-15-17-19-21-20-18-16-14-12-10-8-6-4-2/h3H,1,4-21H2,2H3
InChIKeyJTOGFHAZQVDOAO-UHFFFAOYSA-N
XLogP8.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds18
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.57
LogP ≤ 58.21
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

1-Octene
CID 8125
1-Dodecene
CID 8183
(Z)-9-Tricosene
CID 5365075
1-Nonene
CID 31285
1-Tridecene
CID 17095
1-Decene
CID 13381
1-Hexadecene
CID 12395
1-Tetradecene
CID 14260
1-Octadecene
CID 8217
1-Undecene
CID 13190
1,9-Decadiene
CID 15439
1-Pentadecene
CID 25913

Frequently Asked Questions

What is the IUPAC name of henicos-1-ene?
The IUPAC name of henicos-1-ene (CID 3015374) is henicos-1-ene.
What is the SMILES notation for henicos-1-ene?
The canonical SMILES for henicos-1-ene is C=CCCCCCCCCCCCCCCCCCCC.
What is the InChIKey of henicos-1-ene?
The InChIKey is JTOGFHAZQVDOAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H42/c1-3-5-7-9-11-13-15-17-19-21-20-18-16-14-12-10-8-6-4-2/h3H,1,4-21H2,2H3.
What are the key properties of henicos-1-ene?
henicos-1-ene has a molecular weight of 294.57 g/mol, XLogP of 8.21, 18 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for henicos-1-ene is sourced from PubChem (CID 3015374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).