ethene;penta-2,3-diene

C9H16 — CID 174357342

IUPACethene;penta-2,3-diene
SMILESC=C.C=C.CC=C=CC
InChIInChI=1S/C5H8.2C2H4/c1-3-5-4-2;2*1-2/h3-4H,1-2H3;2*1-2H2
InChIKeyYKQCZFHFLPOZNQ-UHFFFAOYSA-N
MW124.23 g/mol
LogP3.34
Rot. Bonds

About ethene;penta-2,3-diene

ethene;penta-2,3-diene (PubChem CID 174357342) has the molecular formula C9H16 and a molecular weight of 124.23 g/mol. Its IUPAC name is ethene;penta-2,3-diene.

Molecular Properties

Compound Nameethene;penta-2,3-diene
PubChem CID174357342
Molecular FormulaC9H16
Molecular Weight124.23 g/mol
Exact Mass124.13
IUPAC Nameethene;penta-2,3-diene
SMILESC=C.C=C.CC=C=CC
InChIInChI=1S/C5H8.2C2H4/c1-3-5-4-2;2*1-2/h3-4H,1-2H3;2*1-2H2
InChIKeyYKQCZFHFLPOZNQ-UHFFFAOYSA-N
XLogP3.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.23
LogP ≤ 53.34
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

buta-1,2-dienylsilane
CID 175247842
buta-1,2-diene;ethane
CID 143712294
ethene;tetrakis(prop-1-ene)
CID 158667737
(5Z)-hepta-2,3,5-triene
CID 13356362
buta-1,2-diene;molecular nitrogen
CID 141198155
1-bromopenta-2,3-diene
CID 12507774
ethene;prop-1-ene;decahydrofluoride
CID 172847314
(3E)-octa-1,3,5,6-tetraen-3-amine
CID 134515463
(2E)-4-methylideneocta-2,5,6-trien-2-amine
CID 176530983
(Z)-but-2-ene;ethene;bis(prop-1-ene)
CID 160593626
2,2-dimethylhexa-3,4-dienal
CID 12527668
prop-1-ene
CID 162178440

Frequently Asked Questions

What is the IUPAC name of ethene;penta-2,3-diene?
The IUPAC name of ethene;penta-2,3-diene (CID 174357342) is ethene;penta-2,3-diene.
What is the SMILES notation for ethene;penta-2,3-diene?
The canonical SMILES for ethene;penta-2,3-diene is C=C.C=C.CC=C=CC.
What is the InChIKey of ethene;penta-2,3-diene?
The InChIKey is YKQCZFHFLPOZNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8.2C2H4/c1-3-5-4-2;2*1-2/h3-4H,1-2H3;2*1-2H2.
What are the key properties of ethene;penta-2,3-diene?
ethene;penta-2,3-diene has a molecular weight of 124.23 g/mol, XLogP of 3.34, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;penta-2,3-diene is sourced from PubChem (CID 174357342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).