4-ethyl-2-methylhexa-2,3-diene

C9H16 — CID 14399059

IUPAC4-ethyl-2-methylhexa-2,3-diene
SMILESCCC(=C=C(C)C)CC
InChIInChI=1S/C9H16/c1-5-9(6-2)7-8(3)4/h5-6H2,1-4H3
InChIKeyMUSWJULCPPEBDV-UHFFFAOYSA-N
MW124.23 g/mol
LogP3.30
Rot. Bonds2

About 4-ethyl-2-methylhexa-2,3-diene

4-ethyl-2-methylhexa-2,3-diene (PubChem CID 14399059) has the molecular formula C9H16 and a molecular weight of 124.23 g/mol. Its IUPAC name is 4-ethyl-2-methylhexa-2,3-diene.

Molecular Properties

Compound Name4-ethyl-2-methylhexa-2,3-diene
PubChem CID14399059
Molecular FormulaC9H16
Molecular Weight124.23 g/mol
Exact Mass124.13
IUPAC Name4-ethyl-2-methylhexa-2,3-diene
SMILESCCC(=C=C(C)C)CC
InChIInChI=1S/C9H16/c1-5-9(6-2)7-8(3)4/h5-6H2,1-4H3
InChIKeyMUSWJULCPPEBDV-UHFFFAOYSA-N
XLogP3.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
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 4-ethyl-2-methylhexa-2,3-diene?
The IUPAC name of 4-ethyl-2-methylhexa-2,3-diene (CID 14399059) is 4-ethyl-2-methylhexa-2,3-diene.
What is the SMILES notation for 4-ethyl-2-methylhexa-2,3-diene?
The canonical SMILES for 4-ethyl-2-methylhexa-2,3-diene is CCC(=C=C(C)C)CC.
What is the InChIKey of 4-ethyl-2-methylhexa-2,3-diene?
The InChIKey is MUSWJULCPPEBDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16/c1-5-9(6-2)7-8(3)4/h5-6H2,1-4H3.
What are the key properties of 4-ethyl-2-methylhexa-2,3-diene?
4-ethyl-2-methylhexa-2,3-diene has a molecular weight of 124.23 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-methylhexa-2,3-diene is sourced from PubChem (CID 14399059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).