decane;heptane

C17H38 — CID 159049036

IUPACdecane;heptane
SMILESCCCCCCC.CCCCCCCCCC
InChIInChI=1S/C10H22.C7H16/c1-3-5-7-9-10-8-6-4-2;1-3-5-7-6-4-2/h3-10H2,1-2H3;3-7H2,1-2H3
InChIKeyJXAIQASKEICBAH-UHFFFAOYSA-N
MW242.49 g/mol
LogP7.12
Rot. Bonds11

About decane;heptane

decane;heptane (PubChem CID 159049036) has the molecular formula C17H38 and a molecular weight of 242.49 g/mol. Its IUPAC name is decane;heptane.

Molecular Properties

Compound Namedecane;heptane
PubChem CID159049036
Molecular FormulaC17H38
Molecular Weight242.49 g/mol
Exact Mass242.30
IUPAC Namedecane;heptane
SMILESCCCCCCC.CCCCCCCCCC
InChIInChI=1S/C10H22.C7H16/c1-3-5-7-9-10-8-6-4-2;1-3-5-7-6-4-2/h3-10H2,1-2H3;3-7H2,1-2H3
InChIKeyJXAIQASKEICBAH-UHFFFAOYSA-N
XLogP7.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500242.49
LogP ≤ 57.12
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

dohexacontane
CID 522644
hexadecane;pentadecane
CID 159687875
dooctacontane
CID 522649
hexacosane;octacosane
CID 158944700
bis(decane);hexane
CID 158666782
henoctacontane
CID 22086342
CID 161246447
CID 161246447
triacontane
CID 12535
dictane
CID 19848341
heptahectane
CID 123338944
dopentacontahectane
CID 23391374
(1,2,3,4,5,6,7,8,9,10,11,12-13C12)dodecane
CID 71309250

Frequently Asked Questions

What is the IUPAC name of decane;heptane?
The IUPAC name of decane;heptane (CID 159049036) is decane;heptane.
What is the SMILES notation for decane;heptane?
The canonical SMILES for decane;heptane is CCCCCCC.CCCCCCCCCC.
What is the InChIKey of decane;heptane?
The InChIKey is JXAIQASKEICBAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22.C7H16/c1-3-5-7-9-10-8-6-4-2;1-3-5-7-6-4-2/h3-10H2,1-2H3;3-7H2,1-2H3.
What are the key properties of decane;heptane?
decane;heptane has a molecular weight of 242.49 g/mol, XLogP of 7.12, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for decane;heptane is sourced from PubChem (CID 159049036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).