ethane;methane;tritioethyne

C22H64 — CID 161070507

IUPACethane;methane;tritioethyne
SMILESC.C.CC.CC.CC.CC.CC.CC.CC.CC.CC.[3H]C#C
InChIInChI=1S/9C2H6.C2H2.2CH4/c10*1-2;;/h9*1-2H3;1-2H;2*1H4/i;;;;;;;;;1T;;
InChIKeyUEOYYTLOGLZTBF-RVZBLHDISA-N
MW330.76 g/mol
LogP10.76
Rot. Bonds

About ethane;methane;tritioethyne

ethane;methane;tritioethyne (PubChem CID 161070507) has the molecular formula C22H64 and a molecular weight of 330.76 g/mol. Its IUPAC name is ethane;methane;tritioethyne.

Molecular Properties

Compound Nameethane;methane;tritioethyne
PubChem CID161070507
Molecular FormulaC22H64
Molecular Weight330.76 g/mol
Exact Mass330.51
IUPAC Nameethane;methane;tritioethyne
SMILESC.C.CC.CC.CC.CC.CC.CC.CC.CC.CC.[3H]C#C
InChIInChI=1S/9C2H6.C2H2.2CH4/c10*1-2;;/h9*1-2H3;1-2H;2*1H4/i;;;;;;;;;1T;;
InChIKeyUEOYYTLOGLZTBF-RVZBLHDISA-N
XLogP10.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.76
LogP ≤ 510.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

Tributyl(2-tributylstannylvinyl)stannane
CID 101608709
CID 173369081
CID 173369081
CID 90710443
CID 90710443
Acetylene;ethane
CID 141780530
Ethane;propane;prop-1-yne
CID 141782354
Acetylene;ethane
CID 141967014
CID 142046480
CID 142046480
Acetylene;ethane;propane
CID 142048360
Butane;ethane;prop-1-yne
CID 142051342
CID 142051975
CID 142051975
Butane;ethane;propane;prop-1-yne
CID 142054729
Acetylene;ethane
CID 142058494

Frequently Asked Questions

What is the IUPAC name of ethane;methane;tritioethyne?
The IUPAC name of ethane;methane;tritioethyne (CID 161070507) is ethane;methane;tritioethyne.
What is the SMILES notation for ethane;methane;tritioethyne?
The canonical SMILES for ethane;methane;tritioethyne is C.C.CC.CC.CC.CC.CC.CC.CC.CC.CC.[3H]C#C.
What is the InChIKey of ethane;methane;tritioethyne?
The InChIKey is UEOYYTLOGLZTBF-RVZBLHDISA-N. The full InChI is InChI=1S/9C2H6.C2H2.2CH4/c10*1-2;;/h9*1-2H3;1-2H;2*1H4/i;;;;;;;;;1T;;.
What are the key properties of ethane;methane;tritioethyne?
ethane;methane;tritioethyne has a molecular weight of 330.76 g/mol, XLogP of 10.76, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methane;tritioethyne is sourced from PubChem (CID 161070507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).