methane;molecular iodine;pentane

C8H24I2 — CID 158852601

IUPACmethane;molecular iodine;pentane
SMILESC.C.C.CCCCC.II
InChIInChI=1S/C5H12.3CH4.I2/c1-3-5-4-2;;;;1-2/h3-5H2,1-2H3;3*1H4;
InChIKeyIZQPJMRSOGAZKI-UHFFFAOYSA-N
MW374.09 g/mol
LogP5.88
Rot. Bonds2

About methane;molecular iodine;pentane

methane;molecular iodine;pentane (PubChem CID 158852601) has the molecular formula C8H24I2 and a molecular weight of 374.09 g/mol. Its IUPAC name is methane;molecular iodine;pentane.

Molecular Properties

Compound Namemethane;molecular iodine;pentane
PubChem CID158852601
Molecular FormulaC8H24I2
Molecular Weight374.09 g/mol
Exact Mass374.00
IUPAC Namemethane;molecular iodine;pentane
SMILESC.C.C.CCCCC.II
InChIInChI=1S/C5H12.3CH4.I2/c1-3-5-4-2;;;;1-2/h3-5H2,1-2H3;3*1H4;
InChIKeyIZQPJMRSOGAZKI-UHFFFAOYSA-N
XLogP5.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.09
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

methane;molecular iodine;pentane
CID 159700807
methane;pentane;propane
CID 159978864
methane;pentane;propane
CID 169428492
methane;pentane;propane
CID 143342797
methane;pentane;phosphane
CID 162253317
iodoethane;pentane
CID 142801861
butane;hexane;methane;pentane
CID 162085022
butane;methane;pentane;yttrium
CID 160675384
pentane;stannane
CID 173279416
CID 157215984
CID 157215984
pentane;propane
CID 91422342
pentane;rhodium
CID 173105348

Frequently Asked Questions

What is the IUPAC name of methane;molecular iodine;pentane?
The IUPAC name of methane;molecular iodine;pentane (CID 158852601) is methane;molecular iodine;pentane.
What is the SMILES notation for methane;molecular iodine;pentane?
The canonical SMILES for methane;molecular iodine;pentane is C.C.C.CCCCC.II.
What is the InChIKey of methane;molecular iodine;pentane?
The InChIKey is IZQPJMRSOGAZKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12.3CH4.I2/c1-3-5-4-2;;;;1-2/h3-5H2,1-2H3;3*1H4;.
What are the key properties of methane;molecular iodine;pentane?
methane;molecular iodine;pentane has a molecular weight of 374.09 g/mol, XLogP of 5.88, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methane;molecular iodine;pentane is sourced from PubChem (CID 158852601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).