decane

C10H22 — CID 15600

IUPACdecane
SMILESCCCCCCCCCC
InChIInChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3
InChIKeyDIOQZVSQGTUSAI-UHFFFAOYSA-N
MW142.29 g/mol
LogP4.15
Rot. Bonds7

About decane

decane (PubChem CID 15600) has the molecular formula C10H22 and a molecular weight of 142.29 g/mol. Its IUPAC name is decane.

Molecular Properties

Compound Namedecane
PubChem CID15600
Molecular FormulaC10H22
Molecular Weight142.29 g/mol
Exact Mass142.17
IUPAC Namedecane
SMILESCCCCCCCCCC
InChIInChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3
InChIKeyDIOQZVSQGTUSAI-UHFFFAOYSA-N
XLogP4.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.29
LogP ≤ 54.15
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
Octane
CID 356
Nonane
CID 8141
Pentadecane
CID 12391
Hexadecane
CID 11006
Undecane
CID 14257
Tridecane
CID 12388
Dodecane
CID 8182
Tetradecane
CID 12389
Nonadecane
CID 12401
Heptadecane
CID 12398
Octacosane
CID 12408

Frequently Asked Questions

What is the IUPAC name of decane?
The IUPAC name of decane (CID 15600) is decane.
What is the SMILES notation for decane?
The canonical SMILES for decane is CCCCCCCCCC.
What is the InChIKey of decane?
The InChIKey is DIOQZVSQGTUSAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3.
What are the key properties of decane?
decane has a molecular weight of 142.29 g/mol, XLogP of 4.15, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for decane is sourced from PubChem (CID 15600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).