3-ethylhepta-3,4-diene

C9H16 — CID 123953262

IUPAC3-ethylhepta-3,4-diene
SMILESCCC=C=C(CC)CC
InChIInChI=1S/C9H16/c1-4-7-8-9(5-2)6-3/h7H,4-6H2,1-3H3
InChIKeyZUWDEMVWOWPFHO-UHFFFAOYSA-N
MW124.23 g/mol
LogP3.30
Rot. Bonds3

About 3-ethylhepta-3,4-diene

3-ethylhepta-3,4-diene (PubChem CID 123953262) has the molecular formula C9H16 and a molecular weight of 124.23 g/mol. Its IUPAC name is 3-ethylhepta-3,4-diene.

Molecular Properties

Compound Name3-ethylhepta-3,4-diene
PubChem CID123953262
Molecular FormulaC9H16
Molecular Weight124.23 g/mol
Exact Mass124.13
IUPAC Name3-ethylhepta-3,4-diene
SMILESCCC=C=C(CC)CC
InChIInChI=1S/C9H16/c1-4-7-8-9(5-2)6-3/h7H,4-6H2,1-3H3
InChIKeyZUWDEMVWOWPFHO-UHFFFAOYSA-N
XLogP3.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.23
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-ethylhepta-3,4-diene?
The IUPAC name of 3-ethylhepta-3,4-diene (CID 123953262) is 3-ethylhepta-3,4-diene.
What is the SMILES notation for 3-ethylhepta-3,4-diene?
The canonical SMILES for 3-ethylhepta-3,4-diene is CCC=C=C(CC)CC.
What is the InChIKey of 3-ethylhepta-3,4-diene?
The InChIKey is ZUWDEMVWOWPFHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16/c1-4-7-8-9(5-2)6-3/h7H,4-6H2,1-3H3.
What are the key properties of 3-ethylhepta-3,4-diene?
3-ethylhepta-3,4-diene has a molecular weight of 124.23 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylhepta-3,4-diene is sourced from PubChem (CID 123953262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).