(3Z,4Z)-3-ethylidene-2-methylhexa-1,4-diene

C9H14 — CID 142964222

IUPAC(3Z,4Z)-3-ethylidene-2-methylhexa-1,4-diene
SMILESC=C(C)C(/C=C\C)=C\C
InChIInChI=1S/C9H14/c1-5-7-9(6-2)8(3)4/h5-7H,3H2,1-2,4H3/b7-5-,9-6-
InChIKeyARCSIMSYGGQCFH-BSIYMUDXSA-N
MW122.21 g/mol
LogP3.08
Rot. Bonds2

About (3Z,4Z)-3-ethylidene-2-methylhexa-1,4-diene

(3Z,4Z)-3-ethylidene-2-methylhexa-1,4-diene (PubChem CID 142964222) has the molecular formula C9H14 and a molecular weight of 122.21 g/mol. Its IUPAC name is (3Z,4Z)-3-ethylidene-2-methylhexa-1,4-diene.

Molecular Properties

Compound Name(3Z,4Z)-3-ethylidene-2-methylhexa-1,4-diene
PubChem CID142964222
Molecular FormulaC9H14
Molecular Weight122.21 g/mol
Exact Mass122.11
IUPAC Name(3Z,4Z)-3-ethylidene-2-methylhexa-1,4-diene
SMILESC=C(C)C(/C=C\C)=C\C
InChIInChI=1S/C9H14/c1-5-7-9(6-2)8(3)4/h5-7H,3H2,1-2,4H3/b7-5-,9-6-
InChIKeyARCSIMSYGGQCFH-BSIYMUDXSA-N
XLogP3.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.21
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z,4Z)-3-ethylidene-2-methylhexa-1,4-diene?
The IUPAC name of (3Z,4Z)-3-ethylidene-2-methylhexa-1,4-diene (CID 142964222) is (3Z,4Z)-3-ethylidene-2-methylhexa-1,4-diene.
What is the SMILES notation for (3Z,4Z)-3-ethylidene-2-methylhexa-1,4-diene?
The canonical SMILES for (3Z,4Z)-3-ethylidene-2-methylhexa-1,4-diene is C=C(C)C(/C=C\C)=C\C.
What is the InChIKey of (3Z,4Z)-3-ethylidene-2-methylhexa-1,4-diene?
The InChIKey is ARCSIMSYGGQCFH-BSIYMUDXSA-N. The full InChI is InChI=1S/C9H14/c1-5-7-9(6-2)8(3)4/h5-7H,3H2,1-2,4H3/b7-5-,9-6-.
What are the key properties of (3Z,4Z)-3-ethylidene-2-methylhexa-1,4-diene?
(3Z,4Z)-3-ethylidene-2-methylhexa-1,4-diene has a molecular weight of 122.21 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,4Z)-3-ethylidene-2-methylhexa-1,4-diene is sourced from PubChem (CID 142964222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).