4-ethyldeca-2,3-diene

C12H22 — CID 71328652

IUPAC4-ethyldeca-2,3-diene
SMILESCC=C=C(CC)CCCCCC
InChIInChI=1S/C12H22/c1-4-7-8-9-11-12(6-3)10-5-2/h5H,4,6-9,11H2,1-3H3
InChIKeyYTDBXZGPQZIKSZ-UHFFFAOYSA-N
MW166.31 g/mol
LogP4.47
Rot. Bonds6

About 4-ethyldeca-2,3-diene

4-ethyldeca-2,3-diene (PubChem CID 71328652) has the molecular formula C12H22 and a molecular weight of 166.31 g/mol. Its IUPAC name is 4-ethyldeca-2,3-diene.

Molecular Properties

Compound Name4-ethyldeca-2,3-diene
PubChem CID71328652
Molecular FormulaC12H22
Molecular Weight166.31 g/mol
Exact Mass166.17
IUPAC Name4-ethyldeca-2,3-diene
SMILESCC=C=C(CC)CCCCCC
InChIInChI=1S/C12H22/c1-4-7-8-9-11-12(6-3)10-5-2/h5H,4,6-9,11H2,1-3H3
InChIKeyYTDBXZGPQZIKSZ-UHFFFAOYSA-N
XLogP4.47
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 ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4-propylhepta-2,3-diene
CID 134994886
2-pentyltetradec-1-en-1-one
CID 175773273
methyl 2-prop-1-enylidenedodecanoate
CID 134983662
6-ethylidenehexadecane
CID 169207706
2-hexyldec-1-en-1-ol
CID 85340680
(E)-3-methylnonadec-2-ene
CID 23160392
3-methyldec-2-ene
CID 550799
(Z)-pentadec-2-en-3-ol
CID 141060609
(E)-3-methyltridec-2-ene
CID 22000795
but-2-ene;octadecanoic acid
CID 174621561
dec-2-en-3-amine
CID 154268798
(Z)-nonadec-2-en-3-amine
CID 139654417

Frequently Asked Questions

What is the IUPAC name of 4-ethyldeca-2,3-diene?
The IUPAC name of 4-ethyldeca-2,3-diene (CID 71328652) is 4-ethyldeca-2,3-diene.
What is the SMILES notation for 4-ethyldeca-2,3-diene?
The canonical SMILES for 4-ethyldeca-2,3-diene is CC=C=C(CC)CCCCCC.
What is the InChIKey of 4-ethyldeca-2,3-diene?
The InChIKey is YTDBXZGPQZIKSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22/c1-4-7-8-9-11-12(6-3)10-5-2/h5H,4,6-9,11H2,1-3H3.
What are the key properties of 4-ethyldeca-2,3-diene?
4-ethyldeca-2,3-diene has a molecular weight of 166.31 g/mol, XLogP of 4.47, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyldeca-2,3-diene is sourced from PubChem (CID 71328652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).