ethane;2-methylpropane;prop-1-ene

C11H28 — CID 142053608

IUPACethane;2-methylpropane;prop-1-ene
SMILESC=CC.CC.CC.CC(C)C
InChIInChI=1S/C4H10.C3H6.2C2H6/c1-4(2)3;1-3-2;2*1-2/h4H,1-3H3;3H,1H2,2H3;2*1-2H3
InChIKeyYYJZMXCYKGOQTA-UHFFFAOYSA-N
MW160.34 g/mol
LogP4.91
Rot. Bonds

About ethane;2-methylpropane;prop-1-ene

ethane;2-methylpropane;prop-1-ene (PubChem CID 142053608) has the molecular formula C11H28 and a molecular weight of 160.34 g/mol. Its IUPAC name is ethane;2-methylpropane;prop-1-ene.

Molecular Properties

Compound Nameethane;2-methylpropane;prop-1-ene
PubChem CID142053608
Molecular FormulaC11H28
Molecular Weight160.34 g/mol
Exact Mass160.22
IUPAC Nameethane;2-methylpropane;prop-1-ene
SMILESC=CC.CC.CC.CC(C)C
InChIInChI=1S/C4H10.C3H6.2C2H6/c1-4(2)3;1-3-2;2*1-2/h4H,1-3H3;3H,1H2,2H3;2*1-2H3
InChIKeyYYJZMXCYKGOQTA-UHFFFAOYSA-N
XLogP4.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.34
LogP ≤ 54.91
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

(Z)-but-2-ene;ethane;ethene;2-methylpropane;prop-1-ene
CID 171506340
ethane;tetrakis(prop-1-ene)
CID 90918926
ethane;bis(prop-1-ene)
CID 91426438
ethane;methane;bis(prop-1-ene)
CID 159459488
prop-1-ene
CID 162178440
2,3-dimethylpentane;ethane;2-methylpropane;prop-1-ene
CID 143365587
(Z)-but-2-ene;ethane;bis(prop-1-ene)
CID 144848347
buta-1,3-diene;2-methylpropane
CID 161376198
ethene;tetrakis(prop-1-ene)
CID 158667737
λ2-plumbane;prop-1-ene
CID 173103273
azane;tris(prop-1-ene)
CID 173323353
azane;tris(prop-1-ene)
CID 162019717

Frequently Asked Questions

What is the IUPAC name of ethane;2-methylpropane;prop-1-ene?
The IUPAC name of ethane;2-methylpropane;prop-1-ene (CID 142053608) is ethane;2-methylpropane;prop-1-ene.
What is the SMILES notation for ethane;2-methylpropane;prop-1-ene?
The canonical SMILES for ethane;2-methylpropane;prop-1-ene is C=CC.CC.CC.CC(C)C.
What is the InChIKey of ethane;2-methylpropane;prop-1-ene?
The InChIKey is YYJZMXCYKGOQTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10.C3H6.2C2H6/c1-4(2)3;1-3-2;2*1-2/h4H,1-3H3;3H,1H2,2H3;2*1-2H3.
What are the key properties of ethane;2-methylpropane;prop-1-ene?
ethane;2-methylpropane;prop-1-ene has a molecular weight of 160.34 g/mol, XLogP of 4.91, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methylpropane;prop-1-ene is sourced from PubChem (CID 142053608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).