dodecane;pentadecane

C27H58 — CID 162065772

IUPACdodecane;pentadecane
SMILESCCCCCCCCCCCC.CCCCCCCCCCCCCCC
InChIInChI=1S/C15H32.C12H26/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2;1-3-5-7-9-11-12-10-8-6-4-2/h3-15H2,1-2H3;3-12H2,1-2H3
InChIKeyZAKYWSFSIJHLDL-UHFFFAOYSA-N
MW382.76 g/mol
LogP11.02
Rot. Bonds21

About dodecane;pentadecane

dodecane;pentadecane (PubChem CID 162065772) has the molecular formula C27H58 and a molecular weight of 382.76 g/mol. Its IUPAC name is dodecane;pentadecane.

Molecular Properties

Compound Namedodecane;pentadecane
PubChem CID162065772
Molecular FormulaC27H58
Molecular Weight382.76 g/mol
Exact Mass382.45
IUPAC Namedodecane;pentadecane
SMILESCCCCCCCCCCCC.CCCCCCCCCCCCCCC
InChIInChI=1S/C15H32.C12H26/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2;1-3-5-7-9-11-12-10-8-6-4-2/h3-15H2,1-2H3;3-12H2,1-2H3
InChIKeyZAKYWSFSIJHLDL-UHFFFAOYSA-N
XLogP11.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds21
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.76
LogP ≤ 511.02
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
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 dodecane;pentadecane?
The IUPAC name of dodecane;pentadecane (CID 162065772) is dodecane;pentadecane.
What is the SMILES notation for dodecane;pentadecane?
The canonical SMILES for dodecane;pentadecane is CCCCCCCCCCCC.CCCCCCCCCCCCCCC.
What is the InChIKey of dodecane;pentadecane?
The InChIKey is ZAKYWSFSIJHLDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32.C12H26/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2;1-3-5-7-9-11-12-10-8-6-4-2/h3-15H2,1-2H3;3-12H2,1-2H3.
What are the key properties of dodecane;pentadecane?
dodecane;pentadecane has a molecular weight of 382.76 g/mol, XLogP of 11.02, 21 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dodecane;pentadecane is sourced from PubChem (CID 162065772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).