nonadecane

C19H40 — CID 12401

IUPACnonadecane
SMILESCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C19H40/c1-3-5-7-9-11-13-15-17-19-18-16-14-12-10-8-6-4-2/h3-19H2,1-2H3
InChIKeyLQERIDTXQFOHKA-UHFFFAOYSA-N
MW268.53 g/mol
LogP7.66
Rot. Bonds16

About nonadecane

nonadecane (PubChem CID 12401) has the molecular formula C19H40 and a molecular weight of 268.53 g/mol. Its IUPAC name is nonadecane.

Molecular Properties

Compound Namenonadecane
PubChem CID12401
Molecular FormulaC19H40
Molecular Weight268.53 g/mol
Exact Mass268.31
IUPAC Namenonadecane
SMILESCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C19H40/c1-3-5-7-9-11-13-15-17-19-18-16-14-12-10-8-6-4-2/h3-19H2,1-2H3
InChIKeyLQERIDTXQFOHKA-UHFFFAOYSA-N
XLogP7.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds16
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.53
LogP ≤ 57.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of nonadecane?
The IUPAC name of nonadecane (CID 12401) is nonadecane.
What is the SMILES notation for nonadecane?
The canonical SMILES for nonadecane is CCCCCCCCCCCCCCCCCCC.
What is the InChIKey of nonadecane?
The InChIKey is LQERIDTXQFOHKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40/c1-3-5-7-9-11-13-15-17-19-18-16-14-12-10-8-6-4-2/h3-19H2,1-2H3.
What are the key properties of nonadecane?
nonadecane has a molecular weight of 268.53 g/mol, XLogP of 7.66, 16 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for nonadecane is sourced from PubChem (CID 12401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).