(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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Related Compounds

(3Z,5E)-4-prop-1-en-2-ylhepta-1,3,5-triene
CID 142147647
(3E,5Z)-2-fluoro-4-prop-1-en-2-ylhepta-1,3,5-triene
CID 144683889
3-prop-1-en-2-ylhexa-2,4-dien-1-imine
CID 123815278
(3E,5Z,7E)-2,3-dimethyl-7-prop-1-en-2-ylnona-1,3,5,7-tetraene
CID 163402512
ethane;(3Z)-2-methylpenta-1,3-diene
CID 142023424
ethane;(3E)-2-methylpenta-1,3-diene
CID 143682849
(3E)-2,3,4-trimethylhepta-1,3,5-triene
CID 161260818
(4Z)-2-methyl-3-propan-2-ylidenehexa-1,4-diene
CID 142293143
3-ethylidene-2,6-dimethylocta-1,4-diene
CID 90690181
6-ethylidene-2-fluoro-5-methylidenenona-1,3,7-triene
CID 123639498
(3Z,5E,7E)-N-methyl-6-prop-1-en-2-ylnona-3,5,7-trien-1-yn-3-amine
CID 166803174
(3Z,5Z)-3,4-difluoro-2-methylhepta-1,3,5-triene
CID 143399324

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).