6,7-dimethoxy-3,7-dimethyloct-1-en-3-ol

C12H24O3 — CID 15000406

IUPAC6,7-dimethoxy-3,7-dimethyloct-1-en-3-ol
SMILESC=CC(C)(O)CCC(OC)C(C)(C)OC
InChIInChI=1S/C12H24O3/c1-7-12(4,13)9-8-10(14-5)11(2,3)15-6/h7,10,13H,1,8-9H2,2-6H3
InChIKeyKEDQWULLTGWWBX-UHFFFAOYSA-N
MW216.32 g/mol
LogP2.14
Rot. Bonds7

About 6,7-dimethoxy-3,7-dimethyloct-1-en-3-ol

6,7-dimethoxy-3,7-dimethyloct-1-en-3-ol (PubChem CID 15000406) has the molecular formula C12H24O3 and a molecular weight of 216.32 g/mol. Its IUPAC name is 6,7-dimethoxy-3,7-dimethyloct-1-en-3-ol.

Molecular Properties

Compound Name6,7-dimethoxy-3,7-dimethyloct-1-en-3-ol
PubChem CID15000406
Molecular FormulaC12H24O3
Molecular Weight216.32 g/mol
Exact Mass216.17
IUPAC Name6,7-dimethoxy-3,7-dimethyloct-1-en-3-ol
SMILESC=CC(C)(O)CCC(OC)C(C)(C)OC
InChIInChI=1S/C12H24O3/c1-7-12(4,13)9-8-10(14-5)11(2,3)15-6/h7,10,13H,1,8-9H2,2-6H3
InChIKeyKEDQWULLTGWWBX-UHFFFAOYSA-N
XLogP2.14
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-3,7-dimethyloct-1-en-3-ol?
The IUPAC name of 6,7-dimethoxy-3,7-dimethyloct-1-en-3-ol (CID 15000406) is 6,7-dimethoxy-3,7-dimethyloct-1-en-3-ol.
What is the SMILES notation for 6,7-dimethoxy-3,7-dimethyloct-1-en-3-ol?
The canonical SMILES for 6,7-dimethoxy-3,7-dimethyloct-1-en-3-ol is C=CC(C)(O)CCC(OC)C(C)(C)OC.
What is the InChIKey of 6,7-dimethoxy-3,7-dimethyloct-1-en-3-ol?
The InChIKey is KEDQWULLTGWWBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O3/c1-7-12(4,13)9-8-10(14-5)11(2,3)15-6/h7,10,13H,1,8-9H2,2-6H3.
What are the key properties of 6,7-dimethoxy-3,7-dimethyloct-1-en-3-ol?
6,7-dimethoxy-3,7-dimethyloct-1-en-3-ol has a molecular weight of 216.32 g/mol, XLogP of 2.14, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-3,7-dimethyloct-1-en-3-ol is sourced from PubChem (CID 15000406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).