4-ethyldeca-3,7-diene

C12H22 — CID 123572147

IUPAC4-ethyldeca-3,7-diene
SMILESCCC=CCCC(=CCC)CC
InChIInChI=1S/C12H22/c1-4-7-8-9-11-12(6-3)10-5-2/h7-8,10H,4-6,9,11H2,1-3H3
InChIKeyPOUMSXKPZRAASV-UHFFFAOYSA-N
MW166.31 g/mol
LogP4.48
Rot. Bonds6

About 4-ethyldeca-3,7-diene

4-ethyldeca-3,7-diene (PubChem CID 123572147) has the molecular formula C12H22 and a molecular weight of 166.31 g/mol. Its IUPAC name is 4-ethyldeca-3,7-diene.

Molecular Properties

Compound Name4-ethyldeca-3,7-diene
PubChem CID123572147
Molecular FormulaC12H22
Molecular Weight166.31 g/mol
Exact Mass166.17
IUPAC Name4-ethyldeca-3,7-diene
SMILESCCC=CCCC(=CCC)CC
InChIInChI=1S/C12H22/c1-4-7-8-9-11-12(6-3)10-5-2/h7-8,10H,4-6,9,11H2,1-3H3
InChIKeyPOUMSXKPZRAASV-UHFFFAOYSA-N
XLogP4.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.31
LogP ≤ 54.48
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

3-propylidenedec-6-enoic acid
CID 175706562
4-ethylidenedeca-1,7-diene
CID 72650230
[(E)-hept-4-enoyl] (E)-hept-4-enoate
CID 22081122
(3Z,7Z,11Z)-tetradeca-3,7,11-triene
CID 123167975
(7Z)-deca-3,7-diene
CID 173009236
2-ethylpent-2-enylphosphane
CID 91471164
(6E,9E,12E,15E,18E,21Z)-tetracosa-6,9,12,15,18,21-hexaen-3-one
CID 90126203
hept-4-enoic acid;hydrochloride
CID 143782457
2-ethylicosa-2,11,14,17-tetraen-1-ol
CID 74388131
(5Z)-3,5-diethylocta-2,5-diene
CID 123811464
(3Z,6Z,9Z,12Z,15Z,20E)-20-methyltricosa-3,6,9,12,15,20-hexaene
CID 162073402
(19Z)-docosa-4,7,10,13,16,19-hexaenoic acid
CID 175738679

Frequently Asked Questions

What is the IUPAC name of 4-ethyldeca-3,7-diene?
The IUPAC name of 4-ethyldeca-3,7-diene (CID 123572147) is 4-ethyldeca-3,7-diene.
What is the SMILES notation for 4-ethyldeca-3,7-diene?
The canonical SMILES for 4-ethyldeca-3,7-diene is CCC=CCCC(=CCC)CC.
What is the InChIKey of 4-ethyldeca-3,7-diene?
The InChIKey is POUMSXKPZRAASV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22/c1-4-7-8-9-11-12(6-3)10-5-2/h7-8,10H,4-6,9,11H2,1-3H3.
What are the key properties of 4-ethyldeca-3,7-diene?
4-ethyldeca-3,7-diene has a molecular weight of 166.31 g/mol, XLogP of 4.48, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyldeca-3,7-diene is sourced from PubChem (CID 123572147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).