(3Z,5Z)-1,1-dimethoxyocta-3,5-diene

C10H18O2 — CID 88745240

IUPAC(3Z,5Z)-1,1-dimethoxyocta-3,5-diene
SMILESCC/C=C\C=C/CC(OC)OC
InChIInChI=1S/C10H18O2/c1-4-5-6-7-8-9-10(11-2)12-3/h5-8,10H,4,9H2,1-3H3/b6-5-,8-7-
InChIKeyXIPSRCZCTGKFRM-ISTTXYCBSA-N
MW170.25 g/mol
LogP2.52
Rot. Bonds6

About (3Z,5Z)-1,1-dimethoxyocta-3,5-diene

(3Z,5Z)-1,1-dimethoxyocta-3,5-diene (PubChem CID 88745240) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is (3Z,5Z)-1,1-dimethoxyocta-3,5-diene.

Molecular Properties

Compound Name(3Z,5Z)-1,1-dimethoxyocta-3,5-diene
PubChem CID88745240
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name(3Z,5Z)-1,1-dimethoxyocta-3,5-diene
SMILESCC/C=C\C=C/CC(OC)OC
InChIInChI=1S/C10H18O2/c1-4-5-6-7-8-9-10(11-2)12-3/h5-8,10H,4,9H2,1-3H3/b6-5-,8-7-
InChIKeyXIPSRCZCTGKFRM-ISTTXYCBSA-N
XLogP2.52
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
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': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

Acetaldehyde ethyl (Z)-3-hexenyl acetal
CID 5366352
3-Hexene, 1,1-diethoxy-, (3Z)-
CID 5364291
3-Hexene, 1-(1-ethoxyethoxy)-, (E)-
CID 5463962
3-Hexene, 1,1'-[ethylidenebis(oxy)]bis-, (3Z,3'Z)-
CID 113198
Acetaldehyde di-cis-3-hexenyl acetal
CID 5367767
3-Hexene, 1-(1-methoxypropoxy)-, (3E)-
CID 6366609
3-Hexene, 1-(1-methoxypropoxy)-, (3Z)-
CID 20836345
1,1-Diethoxyhex-3-ene
CID 166431
1-(1-Ethoxyethoxy)hex-3-ene
CID 108504
3-Hexene, 1,1-dimethoxy-, (3Z)-
CID 6437407
3-Hexene, 1-(1-methoxyethoxy)-, (Z)-
CID 5365355
(E)-1-(methoxymethoxy)hex-3-ene
CID 13694621

Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-1,1-dimethoxyocta-3,5-diene?
The IUPAC name of (3Z,5Z)-1,1-dimethoxyocta-3,5-diene (CID 88745240) is (3Z,5Z)-1,1-dimethoxyocta-3,5-diene.
What is the SMILES notation for (3Z,5Z)-1,1-dimethoxyocta-3,5-diene?
The canonical SMILES for (3Z,5Z)-1,1-dimethoxyocta-3,5-diene is CC/C=C\C=C/CC(OC)OC.
What is the InChIKey of (3Z,5Z)-1,1-dimethoxyocta-3,5-diene?
The InChIKey is XIPSRCZCTGKFRM-ISTTXYCBSA-N. The full InChI is InChI=1S/C10H18O2/c1-4-5-6-7-8-9-10(11-2)12-3/h5-8,10H,4,9H2,1-3H3/b6-5-,8-7-.
What are the key properties of (3Z,5Z)-1,1-dimethoxyocta-3,5-diene?
(3Z,5Z)-1,1-dimethoxyocta-3,5-diene has a molecular weight of 170.25 g/mol, XLogP of 2.52, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-1,1-dimethoxyocta-3,5-diene is sourced from PubChem (CID 88745240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).