heptadec-1-ene

C17H34 — CID 23217

IUPACheptadec-1-ene
SMILESC=CCCCCCCCCCCCCCCC
InChIInChI=1S/C17H34/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3H,1,4-17H2,2H3
InChIKeyADOBXTDBFNCOBN-UHFFFAOYSA-N
MW238.46 g/mol
LogP6.65
Rot. Bonds14

About heptadec-1-ene

heptadec-1-ene (PubChem CID 23217) has the molecular formula C17H34 and a molecular weight of 238.46 g/mol. Its IUPAC name is heptadec-1-ene.

Molecular Properties

Compound Nameheptadec-1-ene
PubChem CID23217
Molecular FormulaC17H34
Molecular Weight238.46 g/mol
Exact Mass238.27
IUPAC Nameheptadec-1-ene
SMILESC=CCCCCCCCCCCCCCCC
InChIInChI=1S/C17H34/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3H,1,4-17H2,2H3
InChIKeyADOBXTDBFNCOBN-UHFFFAOYSA-N
XLogP6.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500238.46
LogP ≤ 56.65
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 heptadec-1-ene?
The IUPAC name of heptadec-1-ene (CID 23217) is heptadec-1-ene.
What is the SMILES notation for heptadec-1-ene?
The canonical SMILES for heptadec-1-ene is C=CCCCCCCCCCCCCCCC.
What is the InChIKey of heptadec-1-ene?
The InChIKey is ADOBXTDBFNCOBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3H,1,4-17H2,2H3.
What are the key properties of heptadec-1-ene?
heptadec-1-ene has a molecular weight of 238.46 g/mol, XLogP of 6.65, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for heptadec-1-ene is sourced from PubChem (CID 23217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).