(2E,6E)-8-(methoxymethoxy)-3,7-dimethylocta-2,6-dien-1-ol

C12H22O3 — CID 88547663

IUPAC(2E,6E)-8-(methoxymethoxy)-3,7-dimethylocta-2,6-dien-1-ol
SMILESCOCOC/C(C)=C/CC/C(C)=C/CO
InChIInChI=1S/C12H22O3/c1-11(7-8-13)5-4-6-12(2)9-15-10-14-3/h6-7,13H,4-5,8-10H2,1-3H3/b11-7+,12-6+
InChIKeyUZVRSPLFRCFJDU-IAVOFVOCSA-N
MW214.30 g/mol
LogP2.27
Rot. Bonds8

About (2E,6E)-8-(methoxymethoxy)-3,7-dimethylocta-2,6-dien-1-ol

(2E,6E)-8-(methoxymethoxy)-3,7-dimethylocta-2,6-dien-1-ol (PubChem CID 88547663) has the molecular formula C12H22O3 and a molecular weight of 214.30 g/mol. Its IUPAC name is (2E,6E)-8-(methoxymethoxy)-3,7-dimethylocta-2,6-dien-1-ol.

Molecular Properties

Compound Name(2E,6E)-8-(methoxymethoxy)-3,7-dimethylocta-2,6-dien-1-ol
PubChem CID88547663
Molecular FormulaC12H22O3
Molecular Weight214.30 g/mol
Exact Mass214.16
IUPAC Name(2E,6E)-8-(methoxymethoxy)-3,7-dimethylocta-2,6-dien-1-ol
SMILESCOCOC/C(C)=C/CC/C(C)=C/CO
InChIInChI=1S/C12H22O3/c1-11(7-8-13)5-4-6-12(2)9-15-10-14-3/h6-7,13H,4-5,8-10H2,1-3H3/b11-7+,12-6+
InChIKeyUZVRSPLFRCFJDU-IAVOFVOCSA-N
XLogP2.27
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.30
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E,6E)-8-(methoxymethoxy)-3,7-dimethylocta-2,6-dien-1-ol?
The IUPAC name of (2E,6E)-8-(methoxymethoxy)-3,7-dimethylocta-2,6-dien-1-ol (CID 88547663) is (2E,6E)-8-(methoxymethoxy)-3,7-dimethylocta-2,6-dien-1-ol.
What is the SMILES notation for (2E,6E)-8-(methoxymethoxy)-3,7-dimethylocta-2,6-dien-1-ol?
The canonical SMILES for (2E,6E)-8-(methoxymethoxy)-3,7-dimethylocta-2,6-dien-1-ol is COCOC/C(C)=C/CC/C(C)=C/CO.
What is the InChIKey of (2E,6E)-8-(methoxymethoxy)-3,7-dimethylocta-2,6-dien-1-ol?
The InChIKey is UZVRSPLFRCFJDU-IAVOFVOCSA-N. The full InChI is InChI=1S/C12H22O3/c1-11(7-8-13)5-4-6-12(2)9-15-10-14-3/h6-7,13H,4-5,8-10H2,1-3H3/b11-7+,12-6+.
What are the key properties of (2E,6E)-8-(methoxymethoxy)-3,7-dimethylocta-2,6-dien-1-ol?
(2E,6E)-8-(methoxymethoxy)-3,7-dimethylocta-2,6-dien-1-ol has a molecular weight of 214.30 g/mol, XLogP of 2.27, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6E)-8-(methoxymethoxy)-3,7-dimethylocta-2,6-dien-1-ol is sourced from PubChem (CID 88547663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).