(3E)-4-ethyl-5-methylhexa-1,3-diene

C9H16 — CID 142915962

IUPAC(3E)-4-ethyl-5-methylhexa-1,3-diene
SMILESC=C/C=C(\CC)C(C)C
InChIInChI=1S/C9H16/c1-5-7-9(6-2)8(3)4/h5,7-8H,1,6H2,2-4H3/b9-7+
InChIKeyJYQDWKQFNMSSAX-VQHVLOKHSA-N
MW124.23 g/mol
LogP3.16
Rot. Bonds3

About (3E)-4-ethyl-5-methylhexa-1,3-diene

(3E)-4-ethyl-5-methylhexa-1,3-diene (PubChem CID 142915962) has the molecular formula C9H16 and a molecular weight of 124.23 g/mol. Its IUPAC name is (3E)-4-ethyl-5-methylhexa-1,3-diene.

Molecular Properties

Compound Name(3E)-4-ethyl-5-methylhexa-1,3-diene
PubChem CID142915962
Molecular FormulaC9H16
Molecular Weight124.23 g/mol
Exact Mass124.13
IUPAC Name(3E)-4-ethyl-5-methylhexa-1,3-diene
SMILESC=C/C=C(\CC)C(C)C
InChIInChI=1S/C9H16/c1-5-7-9(6-2)8(3)4/h5,7-8H,1,6H2,2-4H3/b9-7+
InChIKeyJYQDWKQFNMSSAX-VQHVLOKHSA-N
XLogP3.16
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 ≤ 53.16
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

ethane;(3E)-4-ethyl-5-methylhexa-1,3-diene
CID 143713384
(3E)-3-ethylhexa-3,5-dien-2-amine
CID 149492466
N-[(2R,3E)-3-ethylhexa-3,5-dien-2-yl]methanimine
CID 130323388
(1E,4E)-4-propan-2-ylhepta-1,4,6-trien-1-ol
CID 170052776
ethane;(3E)-4-ethyl-6,6,6-trifluoro-5-methylhexa-1,3-diene
CID 142269776
5-ethyl-3,6-dimethylhepta-1,4-diene
CID 123520115
(3Z)-4-ethoxy-5-methylhexa-1,3-diene
CID 166091166
2-prop-2-enylidenebutane-1,3-diol
CID 175263998
ethene;(3E)-3-ethyl-2-N-methylhexa-3,5-diene-1,2-diamine
CID 143109979
(3Z)-4-ethyl-5-methylocta-1,3-diene;(3Z)-3-ethyl-4-propan-2-ylhexa-1,3,5-triene
CID 144667400
(3Z)-3-ethylhexa-1,3,5-triene
CID 22044475
(3E)-4-fluorohexa-1,3-diene
CID 88586520

Frequently Asked Questions

What is the IUPAC name of (3E)-4-ethyl-5-methylhexa-1,3-diene?
The IUPAC name of (3E)-4-ethyl-5-methylhexa-1,3-diene (CID 142915962) is (3E)-4-ethyl-5-methylhexa-1,3-diene.
What is the SMILES notation for (3E)-4-ethyl-5-methylhexa-1,3-diene?
The canonical SMILES for (3E)-4-ethyl-5-methylhexa-1,3-diene is C=C/C=C(\CC)C(C)C.
What is the InChIKey of (3E)-4-ethyl-5-methylhexa-1,3-diene?
The InChIKey is JYQDWKQFNMSSAX-VQHVLOKHSA-N. The full InChI is InChI=1S/C9H16/c1-5-7-9(6-2)8(3)4/h5,7-8H,1,6H2,2-4H3/b9-7+.
What are the key properties of (3E)-4-ethyl-5-methylhexa-1,3-diene?
(3E)-4-ethyl-5-methylhexa-1,3-diene has a molecular weight of 124.23 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-4-ethyl-5-methylhexa-1,3-diene is sourced from PubChem (CID 142915962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).