(1E,5Z)-1-ethoxycycloocta-1,5-diene

C10H16O — CID 135028448

IUPAC(1E,5Z)-1-ethoxycycloocta-1,5-diene
SMILESCCO/C1=C/CC/C=C\CC1
InChIInChI=1S/C10H16O/c1-2-11-10-8-6-4-3-5-7-9-10/h3-4,9H,2,5-8H2,1H3/b4-3-,10-9+
InChIKeyONWHEDVMZTXMLX-PWGWRZEZSA-N
MW152.24 g/mol
LogP3.04
Rot. Bonds2

About (1E,5Z)-1-ethoxycycloocta-1,5-diene

(1E,5Z)-1-ethoxycycloocta-1,5-diene (PubChem CID 135028448) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is (1E,5Z)-1-ethoxycycloocta-1,5-diene.

Molecular Properties

Compound Name(1E,5Z)-1-ethoxycycloocta-1,5-diene
PubChem CID135028448
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name(1E,5Z)-1-ethoxycycloocta-1,5-diene
SMILESCCO/C1=C/CC/C=C\CC1
InChIInChI=1S/C10H16O/c1-2-11-10-8-6-4-3-5-7-9-10/h3-4,9H,2,5-8H2,1H3/b4-3-,10-9+
InChIKeyONWHEDVMZTXMLX-PWGWRZEZSA-N
XLogP3.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1E,5Z)-1-ethoxycycloocta-1,5-diene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2H-Pyran, 3,4-dihydro-6-methyl-
CID 27627
3-Heptene, 4-methoxy-
CID 5370382
(3Z)-4-ethoxyocta-1,3-diene
CID 101004520
1-Butoxycyclohexa-1,4-diene
CID 11147826
6-Butyl-3,4-dihydro-2H-pyran
CID 12329637
6-Ethyl-3,4-dihydro-2h-pyran
CID 12536730
6-propyl-3,4-dihydro-2H-pyran
CID 85827008
3-Heptene, 7-ethoxy-
CID 5367613
(E)-4-ethoxyocta-1,3-diene
CID 11030048
(Z)-3-ethoxyoct-3-ene
CID 12385688
(1E,5E)-1-propan-2-yloxyhepta-1,5-diene
CID 13263812
6-pent-4-enyl-3,4-dihydro-2H-pyran
CID 14487876

Frequently Asked Questions

What is the IUPAC name of (1E,5Z)-1-ethoxycycloocta-1,5-diene?
The IUPAC name of (1E,5Z)-1-ethoxycycloocta-1,5-diene (CID 135028448) is (1E,5Z)-1-ethoxycycloocta-1,5-diene.
What is the SMILES notation for (1E,5Z)-1-ethoxycycloocta-1,5-diene?
The canonical SMILES for (1E,5Z)-1-ethoxycycloocta-1,5-diene is CCO/C1=C/CC/C=C\CC1.
What is the InChIKey of (1E,5Z)-1-ethoxycycloocta-1,5-diene?
The InChIKey is ONWHEDVMZTXMLX-PWGWRZEZSA-N. The full InChI is InChI=1S/C10H16O/c1-2-11-10-8-6-4-3-5-7-9-10/h3-4,9H,2,5-8H2,1H3/b4-3-,10-9+.
What are the key properties of (1E,5Z)-1-ethoxycycloocta-1,5-diene?
(1E,5Z)-1-ethoxycycloocta-1,5-diene has a molecular weight of 152.24 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,5Z)-1-ethoxycycloocta-1,5-diene is sourced from PubChem (CID 135028448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).