but-1-ene;ethene;(E)-hept-3-ene;pent-1-ene

C18H36 — CID 173073826

IUPACbut-1-ene;ethene;(E)-hept-3-ene;pent-1-ene
SMILESC=C.C=CCC.C=CCCC.CC/C=C/CCC
InChIInChI=1S/C7H14.C5H10.C4H8.C2H4/c1-3-5-7-6-4-2;1-3-5-4-2;1-3-4-2;1-2/h5,7H,3-4,6H2,1-2H3;3H,1,4-5H2,2H3;3H,1,4H2,2H3;1-2H2/b7-5+;;;
InChIKeyZXNHRIMQCXYXCP-OACAQMFHSA-N
MW252.49 g/mol
LogP7.11
Rot. Bonds6

About but-1-ene;ethene;(E)-hept-3-ene;pent-1-ene

but-1-ene;ethene;(E)-hept-3-ene;pent-1-ene (PubChem CID 173073826) has the molecular formula C18H36 and a molecular weight of 252.49 g/mol. Its IUPAC name is but-1-ene;ethene;(E)-hept-3-ene;pent-1-ene.

Molecular Properties

Compound Namebut-1-ene;ethene;(E)-hept-3-ene;pent-1-ene
PubChem CID173073826
Molecular FormulaC18H36
Molecular Weight252.49 g/mol
Exact Mass252.28
IUPAC Namebut-1-ene;ethene;(E)-hept-3-ene;pent-1-ene
SMILESC=C.C=CCC.C=CCCC.CC/C=C/CCC
InChIInChI=1S/C7H14.C5H10.C4H8.C2H4/c1-3-5-7-6-4-2;1-3-5-4-2;1-3-4-2;1-2/h5,7H,3-4,6H2,1-2H3;3H,1,4-5H2,2H3;3H,1,4H2,2H3;1-2H2/b7-5+;;;
InChIKeyZXNHRIMQCXYXCP-OACAQMFHSA-N
XLogP7.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.49
LogP ≤ 57.11
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

but-1-ene;ethene;pent-1-ene
CID 140771113
ethene;(Z)-hept-3-ene
CID 142517945
ethene;octa-1,5-diene
CID 175164046
(5Z,9E)-dodeca-1,5,9-triene
CID 173147853
(5E)-nona-1,5-diene
CID 6429608
butane;ethene;pent-1-ene
CID 177174553
(111C)pent-1-ene
CID 177423582
bis(pent-1-ene);pent-2-ene
CID 158608078
CID 175109121
CID 175109121
ethane;ethene;pent-1-ene;prop-1-ene
CID 142056611
(11E)-pentadeca-1,11-diene
CID 15206768
trideca-1,10-diene
CID 54351837

Frequently Asked Questions

What is the IUPAC name of but-1-ene;ethene;(E)-hept-3-ene;pent-1-ene?
The IUPAC name of but-1-ene;ethene;(E)-hept-3-ene;pent-1-ene (CID 173073826) is but-1-ene;ethene;(E)-hept-3-ene;pent-1-ene.
What is the SMILES notation for but-1-ene;ethene;(E)-hept-3-ene;pent-1-ene?
The canonical SMILES for but-1-ene;ethene;(E)-hept-3-ene;pent-1-ene is C=C.C=CCC.C=CCCC.CC/C=C/CCC.
What is the InChIKey of but-1-ene;ethene;(E)-hept-3-ene;pent-1-ene?
The InChIKey is ZXNHRIMQCXYXCP-OACAQMFHSA-N. The full InChI is InChI=1S/C7H14.C5H10.C4H8.C2H4/c1-3-5-7-6-4-2;1-3-5-4-2;1-3-4-2;1-2/h5,7H,3-4,6H2,1-2H3;3H,1,4-5H2,2H3;3H,1,4H2,2H3;1-2H2/b7-5+;;;.
What are the key properties of but-1-ene;ethene;(E)-hept-3-ene;pent-1-ene?
but-1-ene;ethene;(E)-hept-3-ene;pent-1-ene has a molecular weight of 252.49 g/mol, XLogP of 7.11, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for but-1-ene;ethene;(E)-hept-3-ene;pent-1-ene is sourced from PubChem (CID 173073826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).