(3Z)-8,8-dimethoxyocta-1,3-diene

C10H18O2 — CID 163205415

IUPAC(3Z)-8,8-dimethoxyocta-1,3-diene
SMILESC=C/C=C\CCCC(OC)OC
InChIInChI=1S/C10H18O2/c1-4-5-6-7-8-9-10(11-2)12-3/h4-6,10H,1,7-9H2,2-3H3/b6-5-
InChIKeyWSTRHEIURFIVNJ-WAYWQWQTSA-N
MW170.25 g/mol
LogP2.52
Rot. Bonds7

About (3Z)-8,8-dimethoxyocta-1,3-diene

(3Z)-8,8-dimethoxyocta-1,3-diene (PubChem CID 163205415) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is (3Z)-8,8-dimethoxyocta-1,3-diene.

Molecular Properties

Compound Name(3Z)-8,8-dimethoxyocta-1,3-diene
PubChem CID163205415
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name(3Z)-8,8-dimethoxyocta-1,3-diene
SMILESC=C/C=C\CCCC(OC)OC
InChIInChI=1S/C10H18O2/c1-4-5-6-7-8-9-10(11-2)12-3/h4-6,10H,1,7-9H2,2-3H3/b6-5-
InChIKeyWSTRHEIURFIVNJ-WAYWQWQTSA-N
XLogP2.52
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(3E)-17,17-dimethoxyheptadeca-1,3-diene
CID 163205429
(3Z)-10,10-dimethoxydeca-1,3-diene
CID 163205940
(3E)-13,13-dimethoxytrideca-1,3-diene
CID 13111838
(E)-1-iodo-6,6-dimethoxyhex-1-ene
CID 135030004
12,12-dimethoxydodeca-3,5-diene
CID 168861657
15,15-dimethoxypentadeca-3,5-diene
CID 168861653
(Z)-1-chloro-9,9-dimethoxynon-3-ene
CID 163205549
bis((3E)-octa-1,3-diene);ruthenium
CID 173228817
(3E)-12,12-dibutoxydodeca-1,3-diene
CID 163205499
(3Z)-14,14-dibutoxytetradeca-1,3-diene
CID 163205845
(3Z,5Z)-10-methylundeca-1,3,5-triene
CID 172592862
1-chloro-11,11-dimethoxyundec-4-ene
CID 165174939

Frequently Asked Questions

What is the IUPAC name of (3Z)-8,8-dimethoxyocta-1,3-diene?
The IUPAC name of (3Z)-8,8-dimethoxyocta-1,3-diene (CID 163205415) is (3Z)-8,8-dimethoxyocta-1,3-diene.
What is the SMILES notation for (3Z)-8,8-dimethoxyocta-1,3-diene?
The canonical SMILES for (3Z)-8,8-dimethoxyocta-1,3-diene is C=C/C=C\CCCC(OC)OC.
What is the InChIKey of (3Z)-8,8-dimethoxyocta-1,3-diene?
The InChIKey is WSTRHEIURFIVNJ-WAYWQWQTSA-N. The full InChI is InChI=1S/C10H18O2/c1-4-5-6-7-8-9-10(11-2)12-3/h4-6,10H,1,7-9H2,2-3H3/b6-5-.
What are the key properties of (3Z)-8,8-dimethoxyocta-1,3-diene?
(3Z)-8,8-dimethoxyocta-1,3-diene has a molecular weight of 170.25 g/mol, XLogP of 2.52, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-8,8-dimethoxyocta-1,3-diene is sourced from PubChem (CID 163205415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).