7-methoxy-3,7-dimethyloct-5-en-1-ol

C11H22O2 — CID 71401662

IUPAC7-methoxy-3,7-dimethyloct-5-en-1-ol
SMILESCOC(C)(C)C=CCC(C)CCO
InChIInChI=1S/C11H22O2/c1-10(7-9-12)6-5-8-11(2,3)13-4/h5,8,10,12H,6-7,9H2,1-4H3
InChIKeyIZIYRSGDEQZPDQ-UHFFFAOYSA-N
MW186.29 g/mol
LogP2.38
Rot. Bonds6

About 7-methoxy-3,7-dimethyloct-5-en-1-ol

7-methoxy-3,7-dimethyloct-5-en-1-ol (PubChem CID 71401662) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is 7-methoxy-3,7-dimethyloct-5-en-1-ol.

Molecular Properties

Compound Name7-methoxy-3,7-dimethyloct-5-en-1-ol
PubChem CID71401662
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name7-methoxy-3,7-dimethyloct-5-en-1-ol
SMILESCOC(C)(C)C=CCC(C)CCO
InChIInChI=1S/C11H22O2/c1-10(7-9-12)6-5-8-11(2,3)13-4/h5,8,10,12H,6-7,9H2,1-4H3
InChIKeyIZIYRSGDEQZPDQ-UHFFFAOYSA-N
XLogP2.38
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.29
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 7-methoxy-3,7-dimethyloct-5-en-1-ol?
The IUPAC name of 7-methoxy-3,7-dimethyloct-5-en-1-ol (CID 71401662) is 7-methoxy-3,7-dimethyloct-5-en-1-ol.
What is the SMILES notation for 7-methoxy-3,7-dimethyloct-5-en-1-ol?
The canonical SMILES for 7-methoxy-3,7-dimethyloct-5-en-1-ol is COC(C)(C)C=CCC(C)CCO.
What is the InChIKey of 7-methoxy-3,7-dimethyloct-5-en-1-ol?
The InChIKey is IZIYRSGDEQZPDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2/c1-10(7-9-12)6-5-8-11(2,3)13-4/h5,8,10,12H,6-7,9H2,1-4H3.
What are the key properties of 7-methoxy-3,7-dimethyloct-5-en-1-ol?
7-methoxy-3,7-dimethyloct-5-en-1-ol has a molecular weight of 186.29 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-3,7-dimethyloct-5-en-1-ol is sourced from PubChem (CID 71401662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).