heptadecane

C17H35- — CID 156905849

IUPACheptadecane
SMILES[CH2-]CCCCCCCCCCCCCCCC
InChIInChI=1S/C17H35/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h1,3-17H2,2H3/q-1
InChIKeyQKAXNIJRKFGWJD-UHFFFAOYSA-N
MW239.47 g/mol
LogP6.69
Rot. Bonds14

About heptadecane

heptadecane (PubChem CID 156905849) has the molecular formula C17H35- and a molecular weight of 239.47 g/mol. Its IUPAC name is heptadecane.

Molecular Properties

Compound Nameheptadecane
PubChem CID156905849
Molecular FormulaC17H35-
Molecular Weight239.47 g/mol
Exact Mass239.27
IUPAC Nameheptadecane
SMILES[CH2-]CCCCCCCCCCCCCCCC
InChIInChI=1S/C17H35/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h1,3-17H2,2H3/q-1
InChIKeyQKAXNIJRKFGWJD-UHFFFAOYSA-N
XLogP6.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500239.47
LogP ≤ 56.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

cerium;dodecane
CID 154114371
zinc heptane
CID 4204916
dodecane;zirconium
CID 148549415
bis(octane);zinc
CID 175041964
tris(heptane);vanadium
CID 59340167
tetrakis(heptane);zirconium(4+)
CID 154501032
lithium tridecane
CID 11321439
sodium tritriacontane
CID 150964196
lithium heptadecane
CID 12950399
manganese;tetradecane
CID 173260191
tetrakis(dodecane);zirconium(4+)
CID 173426195
hafnium(4+);nonane;trihydroxide
CID 172731149

Frequently Asked Questions

What is the IUPAC name of heptadecane?
The IUPAC name of heptadecane (CID 156905849) is heptadecane.
What is the SMILES notation for heptadecane?
The canonical SMILES for heptadecane is [CH2-]CCCCCCCCCCCCCCCC.
What is the InChIKey of heptadecane?
The InChIKey is QKAXNIJRKFGWJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h1,3-17H2,2H3/q-1.
What are the key properties of heptadecane?
heptadecane has a molecular weight of 239.47 g/mol, XLogP of 6.69, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for heptadecane is sourced from PubChem (CID 156905849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).