(2Z,5Z)-1,2,3-trimethoxyhepta-2,5-diene

C10H18O3 — CID 143470078

IUPAC(2Z,5Z)-1,2,3-trimethoxyhepta-2,5-diene
SMILESC/C=C\C/C(OC)=C(\COC)OC
InChIInChI=1S/C10H18O3/c1-5-6-7-9(12-3)10(13-4)8-11-2/h5-6H,7-8H2,1-4H3/b6-5-,10-9-
InChIKeyGJRPWUJZPUEEQW-WBHJMADESA-N
MW186.25 g/mol
LogP2.10
Rot. Bonds6

About (2Z,5Z)-1,2,3-trimethoxyhepta-2,5-diene

(2Z,5Z)-1,2,3-trimethoxyhepta-2,5-diene (PubChem CID 143470078) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is (2Z,5Z)-1,2,3-trimethoxyhepta-2,5-diene.

Molecular Properties

Compound Name(2Z,5Z)-1,2,3-trimethoxyhepta-2,5-diene
PubChem CID143470078
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name(2Z,5Z)-1,2,3-trimethoxyhepta-2,5-diene
SMILESC/C=C\C/C(OC)=C(\COC)OC
InChIInChI=1S/C10H18O3/c1-5-6-7-9(12-3)10(13-4)8-11-2/h5-6H,7-8H2,1-4H3/b6-5-,10-9-
InChIKeyGJRPWUJZPUEEQW-WBHJMADESA-N
XLogP2.10
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(1E,6E)-1-fluoro-5,6-dimethoxyocta-1,3,6-triene
CID 143226536
6-Fluoro-1,6-dimethoxycyclohexa-1,4-diene
CID 173030249
(E)-2,5-dimethoxyhex-3-ene
CID 13549008
5-(Methoxymethyl)-2,3-dihydrofuran
CID 67156624
6-(1-prop-2-enoxyprop-2-enyl)-3,4-dihydro-2H-pyran
CID 11252340
6-(1-ethoxybuta-1,3-dienyl)-3,6-dihydro-2H-pyran
CID 91598969
1-(2-Methoxyethoxy)cyclododeca-2,6,10-triene
CID 100981328
5-(1-Methoxyethyl)-2,3-dihydrofuran
CID 129777446
1-Propenyloxy-cis-hex-2-ene
CID 129822469
1-Propenyloxy-trans-hex-2-ene
CID 129822497
(Z)-3-[(E)-but-2-enoxy]pent-2-ene
CID 134859086
4,5-Dimethoxy-2-methylpent-2-ene
CID 12723436

Frequently Asked Questions

What is the IUPAC name of (2Z,5Z)-1,2,3-trimethoxyhepta-2,5-diene?
The IUPAC name of (2Z,5Z)-1,2,3-trimethoxyhepta-2,5-diene (CID 143470078) is (2Z,5Z)-1,2,3-trimethoxyhepta-2,5-diene.
What is the SMILES notation for (2Z,5Z)-1,2,3-trimethoxyhepta-2,5-diene?
The canonical SMILES for (2Z,5Z)-1,2,3-trimethoxyhepta-2,5-diene is C/C=C\C/C(OC)=C(\COC)OC.
What is the InChIKey of (2Z,5Z)-1,2,3-trimethoxyhepta-2,5-diene?
The InChIKey is GJRPWUJZPUEEQW-WBHJMADESA-N. The full InChI is InChI=1S/C10H18O3/c1-5-6-7-9(12-3)10(13-4)8-11-2/h5-6H,7-8H2,1-4H3/b6-5-,10-9-.
What are the key properties of (2Z,5Z)-1,2,3-trimethoxyhepta-2,5-diene?
(2Z,5Z)-1,2,3-trimethoxyhepta-2,5-diene has a molecular weight of 186.25 g/mol, XLogP of 2.10, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,5Z)-1,2,3-trimethoxyhepta-2,5-diene is sourced from PubChem (CID 143470078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).