hexadecane;pentadecane

C31H66 — CID 159687875

IUPAChexadecane;pentadecane
SMILESCCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCC
InChIInChI=1S/C16H34.C15H32/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h3-16H2,1-2H3;3-15H2,1-2H3
InChIKeyMWALFSGTYJQHSZ-UHFFFAOYSA-N
MW438.87 g/mol
LogP12.59
Rot. Bonds25

About hexadecane;pentadecane

hexadecane;pentadecane (PubChem CID 159687875) has the molecular formula C31H66 and a molecular weight of 438.87 g/mol. Its IUPAC name is hexadecane;pentadecane.

Molecular Properties

Compound Namehexadecane;pentadecane
PubChem CID159687875
Molecular FormulaC31H66
Molecular Weight438.87 g/mol
Exact Mass438.52
IUPAC Namehexadecane;pentadecane
SMILESCCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCC
InChIInChI=1S/C16H34.C15H32/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h3-16H2,1-2H3;3-15H2,1-2H3
InChIKeyMWALFSGTYJQHSZ-UHFFFAOYSA-N
XLogP12.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds25
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.87
LogP ≤ 512.59
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
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
(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 hexadecane;pentadecane?
The IUPAC name of hexadecane;pentadecane (CID 159687875) is hexadecane;pentadecane.
What is the SMILES notation for hexadecane;pentadecane?
The canonical SMILES for hexadecane;pentadecane is CCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCC.
What is the InChIKey of hexadecane;pentadecane?
The InChIKey is MWALFSGTYJQHSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34.C15H32/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h3-16H2,1-2H3;3-15H2,1-2H3.
What are the key properties of hexadecane;pentadecane?
hexadecane;pentadecane has a molecular weight of 438.87 g/mol, XLogP of 12.59, 25 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hexadecane;pentadecane is sourced from PubChem (CID 159687875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).