ethene;methylcyclohexane;molecular hydrogen

C9H20 — CID 143762956

IUPACethene;methylcyclohexane;molecular hydrogen
SMILESC=C.CC1CCCCC1.[H][H]
InChIInChI=1S/C7H14.C2H4.H2/c1-7-5-3-2-4-6-7;1-2;/h7H,2-6H2,1H3;1-2H2;1H
InChIKeyFUAPCSIGJAENRV-UHFFFAOYSA-N
MW128.26 g/mol
LogP3.63
Rot. Bonds

About ethene;methylcyclohexane;molecular hydrogen

ethene;methylcyclohexane;molecular hydrogen (PubChem CID 143762956) has the molecular formula C9H20 and a molecular weight of 128.26 g/mol. Its IUPAC name is ethene;methylcyclohexane;molecular hydrogen.

Molecular Properties

Compound Nameethene;methylcyclohexane;molecular hydrogen
PubChem CID143762956
Molecular FormulaC9H20
Molecular Weight128.26 g/mol
Exact Mass128.16
IUPAC Nameethene;methylcyclohexane;molecular hydrogen
SMILESC=C.CC1CCCCC1.[H][H]
InChIInChI=1S/C7H14.C2H4.H2/c1-7-5-3-2-4-6-7;1-2;/h7H,2-6H2,1H3;1-2H2;1H
InChIKeyFUAPCSIGJAENRV-UHFFFAOYSA-N
XLogP3.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.26
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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ethane;methane;methylcyclohexane;methylcyclopentane
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ethane;methylcyclohexane;dihydrate
CID 144526565
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CID 174057866
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CID 142966230

Frequently Asked Questions

What is the IUPAC name of ethene;methylcyclohexane;molecular hydrogen?
The IUPAC name of ethene;methylcyclohexane;molecular hydrogen (CID 143762956) is ethene;methylcyclohexane;molecular hydrogen.
What is the SMILES notation for ethene;methylcyclohexane;molecular hydrogen?
The canonical SMILES for ethene;methylcyclohexane;molecular hydrogen is C=C.CC1CCCCC1.[H][H].
What is the InChIKey of ethene;methylcyclohexane;molecular hydrogen?
The InChIKey is FUAPCSIGJAENRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14.C2H4.H2/c1-7-5-3-2-4-6-7;1-2;/h7H,2-6H2,1H3;1-2H2;1H.
What are the key properties of ethene;methylcyclohexane;molecular hydrogen?
ethene;methylcyclohexane;molecular hydrogen has a molecular weight of 128.26 g/mol, XLogP of 3.63, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;methylcyclohexane;molecular hydrogen is sourced from PubChem (CID 143762956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).