ethane;bis(hexane);propane

C107H294 — CID 173306816

IUPACethane;bis(hexane);propane
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCCCCC.CCCCCC
InChIInChI=1S/2C6H14.19C3H8.19C2H6/c2*1-3-5-6-4-2;19*1-3-2;19*1-2/h2*3-6H2,1-2H3;19*3H2,1-2H3;19*1-2H3
InChIKeyMCYXRUMOGWJHKW-UHFFFAOYSA-N
MW1581.53 g/mol
LogP51.58
Rot. Bonds6

About ethane;bis(hexane);propane

ethane;bis(hexane);propane (PubChem CID 173306816) has the molecular formula C107H294 and a molecular weight of 1581.53 g/mol. Its IUPAC name is ethane;bis(hexane);propane.

Molecular Properties

Compound Nameethane;bis(hexane);propane
PubChem CID173306816
Molecular FormulaC107H294
Molecular Weight1581.53 g/mol
Exact Mass1580.30
IUPAC Nameethane;bis(hexane);propane
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCCCCC.CCCCCC
InChIInChI=1S/2C6H14.19C3H8.19C2H6/c2*1-3-5-6-4-2;19*1-3-2;19*1-2/h2*3-6H2,1-2H3;19*3H2,1-2H3;19*1-2H3
InChIKeyMCYXRUMOGWJHKW-UHFFFAOYSA-N
XLogP51.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms107
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001581.53
LogP ≤ 551.58
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

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Frequently Asked Questions

What is the IUPAC name of ethane;bis(hexane);propane?
The IUPAC name of ethane;bis(hexane);propane (CID 173306816) is ethane;bis(hexane);propane.
What is the SMILES notation for ethane;bis(hexane);propane?
The canonical SMILES for ethane;bis(hexane);propane is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCCCCC.CCCCCC.
What is the InChIKey of ethane;bis(hexane);propane?
The InChIKey is MCYXRUMOGWJHKW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H14.19C3H8.19C2H6/c2*1-3-5-6-4-2;19*1-3-2;19*1-2/h2*3-6H2,1-2H3;19*3H2,1-2H3;19*1-2H3.
What are the key properties of ethane;bis(hexane);propane?
ethane;bis(hexane);propane has a molecular weight of 1581.53 g/mol, XLogP of 51.58, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;bis(hexane);propane is sourced from PubChem (CID 173306816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).