acetylene;heptane;hexane

C15H32 — CID 173326274

IUPACacetylene;heptane;hexane
SMILESC#C.CCCCCC.CCCCCCC
InChIInChI=1S/C7H16.C6H14.C2H2/c1-3-5-7-6-4-2;1-3-5-6-4-2;1-2/h3-7H2,1-2H3;3-6H2,1-2H3;1-2H
InChIKeyNZELRCOSAITEFF-UHFFFAOYSA-N
MW212.42 g/mol
LogP5.81
Rot. Bonds7

About acetylene;heptane;hexane

acetylene;heptane;hexane (PubChem CID 173326274) has the molecular formula C15H32 and a molecular weight of 212.42 g/mol. Its IUPAC name is acetylene;heptane;hexane.

Molecular Properties

Compound Nameacetylene;heptane;hexane
PubChem CID173326274
Molecular FormulaC15H32
Molecular Weight212.42 g/mol
Exact Mass212.25
IUPAC Nameacetylene;heptane;hexane
SMILESC#C.CCCCCC.CCCCCCC
InChIInChI=1S/C7H16.C6H14.C2H2/c1-3-5-7-6-4-2;1-3-5-6-4-2;1-2/h3-7H2,1-2H3;3-6H2,1-2H3;1-2H
InChIKeyNZELRCOSAITEFF-UHFFFAOYSA-N
XLogP5.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500212.42
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', '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
decane;heptane
CID 159049036
henoctacontane
CID 22086342
CID 161246447
CID 161246447
triacontane
CID 12535
dictane
CID 19848341
heptahectane
CID 123338944
dopentacontahectane
CID 23391374

Frequently Asked Questions

What is the IUPAC name of acetylene;heptane;hexane?
The IUPAC name of acetylene;heptane;hexane (CID 173326274) is acetylene;heptane;hexane.
What is the SMILES notation for acetylene;heptane;hexane?
The canonical SMILES for acetylene;heptane;hexane is C#C.CCCCCC.CCCCCCC.
What is the InChIKey of acetylene;heptane;hexane?
The InChIKey is NZELRCOSAITEFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16.C6H14.C2H2/c1-3-5-7-6-4-2;1-3-5-6-4-2;1-2/h3-7H2,1-2H3;3-6H2,1-2H3;1-2H.
What are the key properties of acetylene;heptane;hexane?
acetylene;heptane;hexane has a molecular weight of 212.42 g/mol, XLogP of 5.81, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;heptane;hexane is sourced from PubChem (CID 173326274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).