(1E,5Z)-1-ethoxy-3,3-dimethylcycloocta-1,5-diene

C12H20O — CID 135028315

IUPAC(1E,5Z)-1-ethoxy-3,3-dimethylcycloocta-1,5-diene
SMILESCCO/C1=C/C(C)(C)C/C=C\CC1
InChIInChI=1S/C12H20O/c1-4-13-11-8-6-5-7-9-12(2,3)10-11/h5,7,10H,4,6,8-9H2,1-3H3/b7-5-,11-10+
InChIKeyZXQNBFLXJSPXIT-OLCNXZRBSA-N
MW180.29 g/mol
LogP3.67
Rot. Bonds2

About (1E,5Z)-1-ethoxy-3,3-dimethylcycloocta-1,5-diene

(1E,5Z)-1-ethoxy-3,3-dimethylcycloocta-1,5-diene (PubChem CID 135028315) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is (1E,5Z)-1-ethoxy-3,3-dimethylcycloocta-1,5-diene.

Molecular Properties

Compound Name(1E,5Z)-1-ethoxy-3,3-dimethylcycloocta-1,5-diene
PubChem CID135028315
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Name(1E,5Z)-1-ethoxy-3,3-dimethylcycloocta-1,5-diene
SMILESCCO/C1=C/C(C)(C)C/C=C\CC1
InChIInChI=1S/C12H20O/c1-4-13-11-8-6-5-7-9-12(2,3)10-11/h5,7,10H,4,6,8-9H2,1-3H3/b7-5-,11-10+
InChIKeyZXQNBFLXJSPXIT-OLCNXZRBSA-N
XLogP3.67
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-Methyl-6-(2-methylpropyl)-3,4-dihydro-2H-pyran
CID 21789782
6-isobutyl-3,4-dihydro-2H-pyran
CID 9989345
4-Methyl-2-(2-methylpropyl)-4h-pyran
CID 129831003
(1E,5Z)-1-ethoxycycloocta-1,5-diene
CID 135028448
(5E)-5-ethoxydeca-1,5,9-triene
CID 135043142
(5E)-6-ethoxy-4,4-dimethyldeca-1,5,9-triene
CID 135043198
(1E,6E)-1,7-dimethoxy-4,4-dimethylocta-1,6-diene
CID 10442729
(1Z,6E)-1,7-dimethoxy-4,4-dimethylocta-1,6-diene
CID 177393480
4,4,6-Trimethyl-2,3-dihydropyran
CID 12417685
1-Ethoxy-3,5,5-trimethylcyclohexa-1,3-diene
CID 21565213
6-tert-butyl-3,4-dihydro-2H-pyran
CID 22986723
3,3-Dimethyl-1-pent-2-en-3-yloxybutane
CID 57190083

Frequently Asked Questions

What is the IUPAC name of (1E,5Z)-1-ethoxy-3,3-dimethylcycloocta-1,5-diene?
The IUPAC name of (1E,5Z)-1-ethoxy-3,3-dimethylcycloocta-1,5-diene (CID 135028315) is (1E,5Z)-1-ethoxy-3,3-dimethylcycloocta-1,5-diene.
What is the SMILES notation for (1E,5Z)-1-ethoxy-3,3-dimethylcycloocta-1,5-diene?
The canonical SMILES for (1E,5Z)-1-ethoxy-3,3-dimethylcycloocta-1,5-diene is CCO/C1=C/C(C)(C)C/C=C\CC1.
What is the InChIKey of (1E,5Z)-1-ethoxy-3,3-dimethylcycloocta-1,5-diene?
The InChIKey is ZXQNBFLXJSPXIT-OLCNXZRBSA-N. The full InChI is InChI=1S/C12H20O/c1-4-13-11-8-6-5-7-9-12(2,3)10-11/h5,7,10H,4,6,8-9H2,1-3H3/b7-5-,11-10+.
What are the key properties of (1E,5Z)-1-ethoxy-3,3-dimethylcycloocta-1,5-diene?
(1E,5Z)-1-ethoxy-3,3-dimethylcycloocta-1,5-diene has a molecular weight of 180.29 g/mol, XLogP of 3.67, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,5Z)-1-ethoxy-3,3-dimethylcycloocta-1,5-diene is sourced from PubChem (CID 135028315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).