ethane;ethene;2-methylprop-1-ene;pent-1-ene

C13H28 — CID 172567576

IUPACethane;ethene;2-methylprop-1-ene;pent-1-ene
SMILESC=C.C=C(C)C.C=CCCC.CC
InChIInChI=1S/C5H10.C4H8.C2H6.C2H4/c1-3-5-4-2;1-4(2)3;2*1-2/h3H,1,4-5H2,2H3;1H2,2-3H3;1-2H3;1-2H2
InChIKeyGHLASSNJOWWBLC-UHFFFAOYSA-N
MW184.37 g/mol
LogP5.38
Rot. Bonds2

About ethane;ethene;2-methylprop-1-ene;pent-1-ene

ethane;ethene;2-methylprop-1-ene;pent-1-ene (PubChem CID 172567576) has the molecular formula C13H28 and a molecular weight of 184.37 g/mol. Its IUPAC name is ethane;ethene;2-methylprop-1-ene;pent-1-ene.

Molecular Properties

Compound Nameethane;ethene;2-methylprop-1-ene;pent-1-ene
PubChem CID172567576
Molecular FormulaC13H28
Molecular Weight184.37 g/mol
Exact Mass184.22
IUPAC Nameethane;ethene;2-methylprop-1-ene;pent-1-ene
SMILESC=C.C=C(C)C.C=CCCC.CC
InChIInChI=1S/C5H10.C4H8.C2H6.C2H4/c1-3-5-4-2;1-4(2)3;2*1-2/h3H,1,4-5H2,2H3;1H2,2-3H3;1-2H3;1-2H2
InChIKeyGHLASSNJOWWBLC-UHFFFAOYSA-N
XLogP5.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500184.37
LogP ≤ 55.38
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

ethane;ethene;pent-1-ene;prop-1-ene
CID 142056611
butane;ethene;pent-1-ene
CID 177174553
ethane;pent-1-ene;propane
CID 162735255
(111C)pent-1-ene
CID 177423582
but-1-ene;ethene;pent-1-ene
CID 140771113
ethane;hex-1-ene;2-methylprop-1-ene;propane
CID 144528656
CID 175109121
CID 175109121
ethane;5-methylideneoct-1-ene;2-methylprop-1-ene
CID 142462861
butane;but-1-ene;2-methylprop-1-ene
CID 158176864
butane;ethane;2-methylprop-1-ene
CID 142168819
decane;pent-1-ene
CID 159058331
but-1-ene;ethene;(E)-hept-3-ene;pent-1-ene
CID 173073826

Frequently Asked Questions

What is the IUPAC name of ethane;ethene;2-methylprop-1-ene;pent-1-ene?
The IUPAC name of ethane;ethene;2-methylprop-1-ene;pent-1-ene (CID 172567576) is ethane;ethene;2-methylprop-1-ene;pent-1-ene.
What is the SMILES notation for ethane;ethene;2-methylprop-1-ene;pent-1-ene?
The canonical SMILES for ethane;ethene;2-methylprop-1-ene;pent-1-ene is C=C.C=C(C)C.C=CCCC.CC.
What is the InChIKey of ethane;ethene;2-methylprop-1-ene;pent-1-ene?
The InChIKey is GHLASSNJOWWBLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10.C4H8.C2H6.C2H4/c1-3-5-4-2;1-4(2)3;2*1-2/h3H,1,4-5H2,2H3;1H2,2-3H3;1-2H3;1-2H2.
What are the key properties of ethane;ethene;2-methylprop-1-ene;pent-1-ene?
ethane;ethene;2-methylprop-1-ene;pent-1-ene has a molecular weight of 184.37 g/mol, XLogP of 5.38, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethene;2-methylprop-1-ene;pent-1-ene is sourced from PubChem (CID 172567576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).