(3Z,5Z)-4-(2-methoxyethyl)octa-3,5-diene

C11H20O — CID 142891735

IUPAC(3Z,5Z)-4-(2-methoxyethyl)octa-3,5-diene
SMILESCC/C=C\C(=C/CC)CCOC
InChIInChI=1S/C11H20O/c1-4-6-8-11(7-5-2)9-10-12-3/h6-8H,4-5,9-10H2,1-3H3/b8-6-,11-7+
InChIKeyRKNMCMMGGFVTOH-FAWHLJIPSA-N
MW168.28 g/mol
LogP3.33
Rot. Bonds6

About (3Z,5Z)-4-(2-methoxyethyl)octa-3,5-diene

(3Z,5Z)-4-(2-methoxyethyl)octa-3,5-diene (PubChem CID 142891735) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is (3Z,5Z)-4-(2-methoxyethyl)octa-3,5-diene.

Molecular Properties

Compound Name(3Z,5Z)-4-(2-methoxyethyl)octa-3,5-diene
PubChem CID142891735
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name(3Z,5Z)-4-(2-methoxyethyl)octa-3,5-diene
SMILESCC/C=C\C(=C/CC)CCOC
InChIInChI=1S/C11H20O/c1-4-6-8-11(7-5-2)9-10-12-3/h6-8H,4-5,9-10H2,1-3H3/b8-6-,11-7+
InChIKeyRKNMCMMGGFVTOH-FAWHLJIPSA-N
XLogP3.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3E,5Z)-4-(propoxymethyl)octa-3,5-diene
CID 130374404
(2Z,4Z)-1-fluoro-4-propylhepta-2,4-diene
CID 143996817
ethane;(Z,3Z)-3-propylidenehept-4-enoic acid
CID 143337053
methyl (2E,4E)-4-propylhepta-2,4-dienoate
CID 90474646
(2E,4E)-3-ethylhepta-2,4-diene
CID 19878662
(E)-1-methoxyhex-3-ene
CID 5364208
(3E,5Z)-4-methylocta-3,5-diene
CID 171633334
(2Z,4Z)-3-(2-chloroethyl)-1,6-dimethoxyhexa-2,4-diene
CID 88886083
1-(2-methoxyethoxy)but-1-ene
CID 54192618
1,6-dimethoxy-3-(2-methoxyethyl)hex-3-ene
CID 88634605
(2Z,4Z)-4-(3-methoxypropyl)hepta-2,4,6-trien-1-amine
CID 143714331
ethane;(Z)-1-methoxy-3,6-dimethylideneoct-4-ene
CID 142994407

Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-4-(2-methoxyethyl)octa-3,5-diene?
The IUPAC name of (3Z,5Z)-4-(2-methoxyethyl)octa-3,5-diene (CID 142891735) is (3Z,5Z)-4-(2-methoxyethyl)octa-3,5-diene.
What is the SMILES notation for (3Z,5Z)-4-(2-methoxyethyl)octa-3,5-diene?
The canonical SMILES for (3Z,5Z)-4-(2-methoxyethyl)octa-3,5-diene is CC/C=C\C(=C/CC)CCOC.
What is the InChIKey of (3Z,5Z)-4-(2-methoxyethyl)octa-3,5-diene?
The InChIKey is RKNMCMMGGFVTOH-FAWHLJIPSA-N. The full InChI is InChI=1S/C11H20O/c1-4-6-8-11(7-5-2)9-10-12-3/h6-8H,4-5,9-10H2,1-3H3/b8-6-,11-7+.
What are the key properties of (3Z,5Z)-4-(2-methoxyethyl)octa-3,5-diene?
(3Z,5Z)-4-(2-methoxyethyl)octa-3,5-diene has a molecular weight of 168.28 g/mol, XLogP of 3.33, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-4-(2-methoxyethyl)octa-3,5-diene is sourced from PubChem (CID 142891735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).