tetradecane

C14H30 — CID 12389

IUPACtetradecane
SMILESCCCCCCCCCCCCCC
InChIInChI=1S/C14H30/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h3-14H2,1-2H3
InChIKeyBGHCVCJVXZWKCC-UHFFFAOYSA-N
MW198.39 g/mol
LogP5.71
Rot. Bonds11

About tetradecane

tetradecane (PubChem CID 12389) has the molecular formula C14H30 and a molecular weight of 198.39 g/mol. Its IUPAC name is tetradecane.

Molecular Properties

Compound Nametetradecane
PubChem CID12389
Molecular FormulaC14H30
Molecular Weight198.39 g/mol
Exact Mass198.23
IUPAC Nametetradecane
SMILESCCCCCCCCCCCCCC
InChIInChI=1S/C14H30/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h3-14H2,1-2H3
InChIKeyBGHCVCJVXZWKCC-UHFFFAOYSA-N
XLogP5.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500198.39
LogP ≤ 55.71
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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Related Compounds

Heptane
CID 8900
Decane
CID 15600
Octane
CID 356
Nonane
CID 8141
Pentadecane
CID 12391
Hexadecane
CID 11006
Undecane
CID 14257
Tridecane
CID 12388
Dodecane
CID 8182
Nonadecane
CID 12401
Heptadecane
CID 12398
Octacosane
CID 12408

Frequently Asked Questions

What is the IUPAC name of tetradecane?
The IUPAC name of tetradecane (CID 12389) is tetradecane.
What is the SMILES notation for tetradecane?
The canonical SMILES for tetradecane is CCCCCCCCCCCCCC.
What is the InChIKey of tetradecane?
The InChIKey is BGHCVCJVXZWKCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h3-14H2,1-2H3.
What are the key properties of tetradecane?
tetradecane has a molecular weight of 198.39 g/mol, XLogP of 5.71, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tetradecane is sourced from PubChem (CID 12389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).