ethane;bis(2-methylpropane);prop-1-yne

C23H60 — CID 143370220

IUPACethane;bis(2-methylpropane);prop-1-yne
SMILESC#CC.CC.CC.CC.CC.CC.CC.CC(C)C.CC(C)C
InChIInChI=1S/2C4H10.C3H4.6C2H6/c2*1-4(2)3;1-3-2;6*1-2/h2*4H,1-3H3;1H,2H3;6*1-2H3
InChIKeyUHBMCGBSCMQXGO-UHFFFAOYSA-N
MW336.73 g/mol
LogP10.12
Rot. Bonds

About ethane;bis(2-methylpropane);prop-1-yne

ethane;bis(2-methylpropane);prop-1-yne (PubChem CID 143370220) has the molecular formula C23H60 and a molecular weight of 336.73 g/mol. Its IUPAC name is ethane;bis(2-methylpropane);prop-1-yne.

Molecular Properties

Compound Nameethane;bis(2-methylpropane);prop-1-yne
PubChem CID143370220
Molecular FormulaC23H60
Molecular Weight336.73 g/mol
Exact Mass336.47
IUPAC Nameethane;bis(2-methylpropane);prop-1-yne
SMILESC#CC.CC.CC.CC.CC.CC.CC.CC(C)C.CC(C)C
InChIInChI=1S/2C4H10.C3H4.6C2H6/c2*1-4(2)3;1-3-2;6*1-2/h2*4H,1-3H3;1H,2H3;6*1-2H3
InChIKeyUHBMCGBSCMQXGO-UHFFFAOYSA-N
XLogP10.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.73
LogP ≤ 510.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;bis(2-methylpropane);prop-1-yne?
The IUPAC name of ethane;bis(2-methylpropane);prop-1-yne (CID 143370220) is ethane;bis(2-methylpropane);prop-1-yne.
What is the SMILES notation for ethane;bis(2-methylpropane);prop-1-yne?
The canonical SMILES for ethane;bis(2-methylpropane);prop-1-yne is C#CC.CC.CC.CC.CC.CC.CC.CC(C)C.CC(C)C.
What is the InChIKey of ethane;bis(2-methylpropane);prop-1-yne?
The InChIKey is UHBMCGBSCMQXGO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H10.C3H4.6C2H6/c2*1-4(2)3;1-3-2;6*1-2/h2*4H,1-3H3;1H,2H3;6*1-2H3.
What are the key properties of ethane;bis(2-methylpropane);prop-1-yne?
ethane;bis(2-methylpropane);prop-1-yne has a molecular weight of 336.73 g/mol, XLogP of 10.12, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;bis(2-methylpropane);prop-1-yne is sourced from PubChem (CID 143370220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).