ethane;bis(methylcyclopentane);molecular iodine;propane;propylcyclopentane

C25H54I2 — CID 159951962

IUPACethane;bis(methylcyclopentane);molecular iodine;propane;propylcyclopentane
SMILESCC.CC1CCCC1.CC1CCCC1.CCC.CCCC1CCCC1.II
InChIInChI=1S/C8H16.2C6H12.C3H8.C2H6.I2/c1-2-5-8-6-3-4-7-8;2*1-6-4-2-3-5-6;1-3-2;2*1-2/h8H,2-7H2,1H3;2*6H,2-5H2,1H3;3H2,1-2H3;1-2H3;
InChIKeyOCFPMIXRIBTLJH-UHFFFAOYSA-N
MW608.52 g/mol
LogP11.58
Rot. Bonds2

About ethane;bis(methylcyclopentane);molecular iodine;propane;propylcyclopentane

ethane;bis(methylcyclopentane);molecular iodine;propane;propylcyclopentane (PubChem CID 159951962) has the molecular formula C25H54I2 and a molecular weight of 608.52 g/mol. Its IUPAC name is ethane;bis(methylcyclopentane);molecular iodine;propane;propylcyclopentane.

Molecular Properties

Compound Nameethane;bis(methylcyclopentane);molecular iodine;propane;propylcyclopentane
PubChem CID159951962
Molecular FormulaC25H54I2
Molecular Weight608.52 g/mol
Exact Mass608.23
IUPAC Nameethane;bis(methylcyclopentane);molecular iodine;propane;propylcyclopentane
SMILESCC.CC1CCCC1.CC1CCCC1.CCC.CCCC1CCCC1.II
InChIInChI=1S/C8H16.2C6H12.C3H8.C2H6.I2/c1-2-5-8-6-3-4-7-8;2*1-6-4-2-3-5-6;1-3-2;2*1-2/h8H,2-7H2,1H3;2*6H,2-5H2,1H3;3H2,1-2H3;1-2H3;
InChIKeyOCFPMIXRIBTLJH-UHFFFAOYSA-N
XLogP11.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500608.52
LogP ≤ 511.58
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

1-methyl-5-propylcyclononane
CID 54361658
1-methyl-4-propylcycloheptane
CID 90967653
propylcyclotetradecane
CID 90991550
ethane;methylcyclopentane;propane
CID 142080084
1-butyl-4-methylcyclooctane
CID 123623113
ethane;propane;propylcyclopropane
CID 145406182
1-(2-cyclohexylethyl)-4-[2-(4-propylcyclohexyl)ethyl]cyclohexane
CID 70430254
ethane;methanethiol;bis(methylcyclopentane);propane
CID 162283921
cis-(1R,3S)-1-methyl-3-propylcyclohexane
CID 154071124
butane;methylcyclopentane
CID 142053859
1,3,6-trimethyl-9-propylcycloundecane
CID 123524783
1-methyl-4-(4-propylcyclohexyl)cyclohexane
CID 543958

Frequently Asked Questions

What is the IUPAC name of ethane;bis(methylcyclopentane);molecular iodine;propane;propylcyclopentane?
The IUPAC name of ethane;bis(methylcyclopentane);molecular iodine;propane;propylcyclopentane (CID 159951962) is ethane;bis(methylcyclopentane);molecular iodine;propane;propylcyclopentane.
What is the SMILES notation for ethane;bis(methylcyclopentane);molecular iodine;propane;propylcyclopentane?
The canonical SMILES for ethane;bis(methylcyclopentane);molecular iodine;propane;propylcyclopentane is CC.CC1CCCC1.CC1CCCC1.CCC.CCCC1CCCC1.II.
What is the InChIKey of ethane;bis(methylcyclopentane);molecular iodine;propane;propylcyclopentane?
The InChIKey is OCFPMIXRIBTLJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16.2C6H12.C3H8.C2H6.I2/c1-2-5-8-6-3-4-7-8;2*1-6-4-2-3-5-6;1-3-2;2*1-2/h8H,2-7H2,1H3;2*6H,2-5H2,1H3;3H2,1-2H3;1-2H3;.
What are the key properties of ethane;bis(methylcyclopentane);molecular iodine;propane;propylcyclopentane?
ethane;bis(methylcyclopentane);molecular iodine;propane;propylcyclopentane has a molecular weight of 608.52 g/mol, XLogP of 11.58, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;bis(methylcyclopentane);molecular iodine;propane;propylcyclopentane is sourced from PubChem (CID 159951962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).