(3Z)-4-ethoxy-5-methylhexa-1,3-diene

C9H16O — CID 166091166

IUPAC(3Z)-4-ethoxy-5-methylhexa-1,3-diene
SMILESC=C/C=C(\OCC)C(C)C
InChIInChI=1S/C9H16O/c1-5-7-9(8(3)4)10-6-2/h5,7-8H,1,6H2,2-4H3/b9-7-
InChIKeyUJOFELOOWYTUDY-CLFYSBASSA-N
MW140.23 g/mol
LogP2.75
Rot. Bonds4

About (3Z)-4-ethoxy-5-methylhexa-1,3-diene

(3Z)-4-ethoxy-5-methylhexa-1,3-diene (PubChem CID 166091166) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is (3Z)-4-ethoxy-5-methylhexa-1,3-diene.

Molecular Properties

Compound Name(3Z)-4-ethoxy-5-methylhexa-1,3-diene
PubChem CID166091166
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name(3Z)-4-ethoxy-5-methylhexa-1,3-diene
SMILESC=C/C=C(\OCC)C(C)C
InChIInChI=1S/C9H16O/c1-5-7-9(8(3)4)10-6-2/h5,7-8H,1,6H2,2-4H3/b9-7-
InChIKeyUJOFELOOWYTUDY-CLFYSBASSA-N
XLogP2.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(3E,5Z)-4-ethoxy-5-propan-2-ylhepta-1,3,5-triene
CID 144527546
1,1-diethoxybuta-1,3-diene
CID 19609197
(1S,2E)-2-ethoxy-1-phenylpenta-2,4-dien-1-amine
CID 51357770
(3E)-4-ethyl-5-methylhexa-1,3-diene
CID 142915962
(3E)-5-methyl-4-(trifluoromethoxy)hexa-1,3-diene
CID 174302119
ethane;(3E)-4-ethyl-5-methylhexa-1,3-diene
CID 143713384
(3E,5E)-4-ethoxy-5-methoxyocta-1,3,5,7-tetraene
CID 143496592
(3E)-3-ethylhexa-3,5-dien-2-amine
CID 149492466
bromo-[(2E)-2-ethoxypenta-2,4-dienylidene]thallane
CID 163658873
(Z,3R)-4-ethoxyhex-4-en-3-amine
CID 142810338
(3E,5Z)-4-ethoxy-5-ethylideneocta-1,3-diene
CID 143486696
ethyl (2Z)-2-(4,4,4-trifluorobutan-2-yloxy)penta-2,4-dienoate
CID 130282661

Frequently Asked Questions

What is the IUPAC name of (3Z)-4-ethoxy-5-methylhexa-1,3-diene?
The IUPAC name of (3Z)-4-ethoxy-5-methylhexa-1,3-diene (CID 166091166) is (3Z)-4-ethoxy-5-methylhexa-1,3-diene.
What is the SMILES notation for (3Z)-4-ethoxy-5-methylhexa-1,3-diene?
The canonical SMILES for (3Z)-4-ethoxy-5-methylhexa-1,3-diene is C=C/C=C(\OCC)C(C)C.
What is the InChIKey of (3Z)-4-ethoxy-5-methylhexa-1,3-diene?
The InChIKey is UJOFELOOWYTUDY-CLFYSBASSA-N. The full InChI is InChI=1S/C9H16O/c1-5-7-9(8(3)4)10-6-2/h5,7-8H,1,6H2,2-4H3/b9-7-.
What are the key properties of (3Z)-4-ethoxy-5-methylhexa-1,3-diene?
(3Z)-4-ethoxy-5-methylhexa-1,3-diene has a molecular weight of 140.23 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-4-ethoxy-5-methylhexa-1,3-diene is sourced from PubChem (CID 166091166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).