methane;propane;prop-1-en-2-ylbenzene

C13H22 — CID 145329923

IUPACmethane;propane;prop-1-en-2-ylbenzene
SMILESC.C=C(C)c1ccccc1.CCC
InChIInChI=1S/C9H10.C3H8.CH4/c1-8(2)9-6-4-3-5-7-9;1-3-2;/h3-7H,1H2,2H3;3H2,1-2H3;1H4
InChIKeyUJAHWOTYLCVCMD-UHFFFAOYSA-N
MW178.32 g/mol
LogP4.77
Rot. Bonds1

About methane;propane;prop-1-en-2-ylbenzene

methane;propane;prop-1-en-2-ylbenzene (PubChem CID 145329923) has the molecular formula C13H22 and a molecular weight of 178.32 g/mol. Its IUPAC name is methane;propane;prop-1-en-2-ylbenzene.

Molecular Properties

Compound Namemethane;propane;prop-1-en-2-ylbenzene
PubChem CID145329923
Molecular FormulaC13H22
Molecular Weight178.32 g/mol
Exact Mass178.17
IUPAC Namemethane;propane;prop-1-en-2-ylbenzene
SMILESC.C=C(C)c1ccccc1.CCC
InChIInChI=1S/C9H10.C3H8.CH4/c1-8(2)9-6-4-3-5-7-9;1-3-2;/h3-7H,1H2,2H3;3H2,1-2H3;1H4
InChIKeyUJAHWOTYLCVCMD-UHFFFAOYSA-N
XLogP4.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.32
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

prop-1-en-2-ylbenzene;silane
CID 174724970
ethane;tris(prop-1-en-2-ylbenzene)
CID 161299444
ethane-1,2-diol;prop-1-en-2-ylbenzene
CID 68647860
dilithium;hydride;tetrakis(prop-1-en-2-ylbenzene)
CID 173210084
ethenamine;prop-1-en-2-ylbenzene
CID 172805831
lithium;butane;prop-1-en-2-ylbenzene
CID 173314205
ethane;methoxymethane;prop-1-en-2-ylbenzene
CID 160714954
prop-1-en-2-ylbenzene;1,1,2,2-tetrafluoroethene
CID 161134762
dodecane-1-thiol;prop-1-en-2-ylbenzene
CID 157159837
1,3-bis(ethenyl)-2-ethylbenzene;prop-1-en-2-ylbenzene
CID 173010088
bis(prop-1-en-2-ylbenzene);styrene
CID 157311042
methane;methylphosphane;2-phenylprop-1-enylphosphane;prop-1-en-2-ylbenzene
CID 159485123

Frequently Asked Questions

What is the IUPAC name of methane;propane;prop-1-en-2-ylbenzene?
The IUPAC name of methane;propane;prop-1-en-2-ylbenzene (CID 145329923) is methane;propane;prop-1-en-2-ylbenzene.
What is the SMILES notation for methane;propane;prop-1-en-2-ylbenzene?
The canonical SMILES for methane;propane;prop-1-en-2-ylbenzene is C.C=C(C)c1ccccc1.CCC.
What is the InChIKey of methane;propane;prop-1-en-2-ylbenzene?
The InChIKey is UJAHWOTYLCVCMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10.C3H8.CH4/c1-8(2)9-6-4-3-5-7-9;1-3-2;/h3-7H,1H2,2H3;3H2,1-2H3;1H4.
What are the key properties of methane;propane;prop-1-en-2-ylbenzene?
methane;propane;prop-1-en-2-ylbenzene has a molecular weight of 178.32 g/mol, XLogP of 4.77, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methane;propane;prop-1-en-2-ylbenzene is sourced from PubChem (CID 145329923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).