methane;penta-1,3-diene;pent-2-ene

C14H34 — CID 158883793

IUPACmethane;penta-1,3-diene;pent-2-ene
SMILESC.C.C.C.C=CC=CC.CC=CCC
InChIInChI=1S/C5H10.C5H8.4CH4/c2*1-3-5-4-2;;;;/h3,5H,4H2,1-2H3;3-5H,1H2,2H3;4*1H4
InChIKeyJDIYKXFEXNSOPB-UHFFFAOYSA-N
MW202.43 g/mol
LogP6.27
Rot. Bonds2

About methane;penta-1,3-diene;pent-2-ene

methane;penta-1,3-diene;pent-2-ene (PubChem CID 158883793) has the molecular formula C14H34 and a molecular weight of 202.43 g/mol. Its IUPAC name is methane;penta-1,3-diene;pent-2-ene.

Molecular Properties

Compound Namemethane;penta-1,3-diene;pent-2-ene
PubChem CID158883793
Molecular FormulaC14H34
Molecular Weight202.43 g/mol
Exact Mass202.27
IUPAC Namemethane;penta-1,3-diene;pent-2-ene
SMILESC.C.C.C.C=CC=CC.CC=CCC
InChIInChI=1S/C5H10.C5H8.4CH4/c2*1-3-5-4-2;;;;/h3,5H,4H2,1-2H3;3-5H,1H2,2H3;4*1H4
InChIKeyJDIYKXFEXNSOPB-UHFFFAOYSA-N
XLogP6.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500202.43
LogP ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

methane;(3E)-penta-1,3-diene;propane
CID 143129609
but-1-ene;(Z)-pent-2-ene
CID 156866422
ethane;penta-1,3-diene;propane
CID 143367111
(3E)-penta-1,3-diene
CID 71777643
ethane;(3Z)-penta-1,3-diene;propane;prop-1-ene
CID 142061994
(Z)-but-2-ene;ethane;(3Z)-penta-1,3-diene;propane
CID 142056064
ethane;ethene;(E)-pent-2-ene
CID 154666573
(3E)-penta-1,3-diene;titanium(2+)
CID 22149558
(E)-but-2-ene;(Z)-pent-2-ene
CID 143108402
(3E)-penta-1,3-diene;hydrochloride
CID 87892930
germane;pent-2-ene
CID 174678272
CID 162303422
CID 162303422

Frequently Asked Questions

What is the IUPAC name of methane;penta-1,3-diene;pent-2-ene?
The IUPAC name of methane;penta-1,3-diene;pent-2-ene (CID 158883793) is methane;penta-1,3-diene;pent-2-ene.
What is the SMILES notation for methane;penta-1,3-diene;pent-2-ene?
The canonical SMILES for methane;penta-1,3-diene;pent-2-ene is C.C.C.C.C=CC=CC.CC=CCC.
What is the InChIKey of methane;penta-1,3-diene;pent-2-ene?
The InChIKey is JDIYKXFEXNSOPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10.C5H8.4CH4/c2*1-3-5-4-2;;;;/h3,5H,4H2,1-2H3;3-5H,1H2,2H3;4*1H4.
What are the key properties of methane;penta-1,3-diene;pent-2-ene?
methane;penta-1,3-diene;pent-2-ene has a molecular weight of 202.43 g/mol, XLogP of 6.27, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methane;penta-1,3-diene;pent-2-ene is sourced from PubChem (CID 158883793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).