2-methylpropane;propane;prop-1-yne

C13H30 — CID 142090542

IUPAC2-methylpropane;propane;prop-1-yne
SMILESC#CC.CC(C)C.CCC.CCC
InChIInChI=1S/C4H10.2C3H8.C3H4/c1-4(2)3;3*1-3-2/h4H,1-3H3;2*3H2,1-2H3;1H,2H3
InChIKeyCPQKRHZUCAUSOK-UHFFFAOYSA-N
MW186.38 g/mol
LogP5.13
Rot. Bonds

About 2-methylpropane;propane;prop-1-yne

2-methylpropane;propane;prop-1-yne (PubChem CID 142090542) has the molecular formula C13H30 and a molecular weight of 186.38 g/mol. Its IUPAC name is 2-methylpropane;propane;prop-1-yne.

Molecular Properties

Compound Name2-methylpropane;propane;prop-1-yne
PubChem CID142090542
Molecular FormulaC13H30
Molecular Weight186.38 g/mol
Exact Mass186.23
IUPAC Name2-methylpropane;propane;prop-1-yne
SMILESC#CC.CC(C)C.CCC.CCC
InChIInChI=1S/C4H10.2C3H8.C3H4/c1-4(2)3;3*1-3-2/h4H,1-3H3;2*3H2,1-2H3;1H,2H3
InChIKeyCPQKRHZUCAUSOK-UHFFFAOYSA-N
XLogP5.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500186.38
LogP ≤ 55.13
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

7-Methylocta-1,5-diyne
CID 134995261
Tri-tert-butyl(prop-2-yn-1-yl)stannane
CID 13708529
3-Methylhepta-1,4-diyne
CID 21079839
7-Methylocta-1,3,5-triyne
CID 22955371
2,9-Dimethyldeca-3,7-diyne
CID 54007834
4-Ethynylundeca-2,5,8-triyne
CID 60100915
4-Ethynylocta-2,5-diyne
CID 60100916
Butane;ethane;hepta-1,3,5-triyne;molecular hydrogen
CID 91282501
3-Ethyl-6-methylocta-1,4-diyne
CID 123714113
9-Methyldeca-1,3,5,7-tetrayne
CID 140793700
3-Methylocta-1,4,6-triyne
CID 141339151
Acetylene;ethane;propane;prop-1-yne
CID 141766590

Frequently Asked Questions

What is the IUPAC name of 2-methylpropane;propane;prop-1-yne?
The IUPAC name of 2-methylpropane;propane;prop-1-yne (CID 142090542) is 2-methylpropane;propane;prop-1-yne.
What is the SMILES notation for 2-methylpropane;propane;prop-1-yne?
The canonical SMILES for 2-methylpropane;propane;prop-1-yne is C#CC.CC(C)C.CCC.CCC.
What is the InChIKey of 2-methylpropane;propane;prop-1-yne?
The InChIKey is CPQKRHZUCAUSOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10.2C3H8.C3H4/c1-4(2)3;3*1-3-2/h4H,1-3H3;2*3H2,1-2H3;1H,2H3.
What are the key properties of 2-methylpropane;propane;prop-1-yne?
2-methylpropane;propane;prop-1-yne has a molecular weight of 186.38 g/mol, XLogP of 5.13, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropane;propane;prop-1-yne is sourced from PubChem (CID 142090542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).