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

C11H22O2 — CID 20531628

IUPAC6-methoxy-3,7-dimethyloct-7-en-1-ol
SMILESC=C(C)C(CCC(C)CCO)OC
InChIInChI=1S/C11H22O2/c1-9(2)11(13-4)6-5-10(3)7-8-12/h10-12H,1,5-8H2,2-4H3
InChIKeyVKRQXMQEPSPVAG-UHFFFAOYSA-N
MW186.29 g/mol
LogP2.38
Rot. Bonds7

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

6-methoxy-3,7-dimethyloct-7-en-1-ol (PubChem CID 20531628) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is 6-methoxy-3,7-dimethyloct-7-en-1-ol.

Molecular Properties

Compound Name6-methoxy-3,7-dimethyloct-7-en-1-ol
PubChem CID20531628
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name6-methoxy-3,7-dimethyloct-7-en-1-ol
SMILESC=C(C)C(CCC(C)CCO)OC
InChIInChI=1S/C11H22O2/c1-9(2)11(13-4)6-5-10(3)7-8-12/h10-12H,1,5-8H2,2-4H3
InChIKeyVKRQXMQEPSPVAG-UHFFFAOYSA-N
XLogP2.38
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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 6-methoxy-3,7-dimethyloct-7-en-1-ol?
The IUPAC name of 6-methoxy-3,7-dimethyloct-7-en-1-ol (CID 20531628) is 6-methoxy-3,7-dimethyloct-7-en-1-ol.
What is the SMILES notation for 6-methoxy-3,7-dimethyloct-7-en-1-ol?
The canonical SMILES for 6-methoxy-3,7-dimethyloct-7-en-1-ol is C=C(C)C(CCC(C)CCO)OC.
What is the InChIKey of 6-methoxy-3,7-dimethyloct-7-en-1-ol?
The InChIKey is VKRQXMQEPSPVAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2/c1-9(2)11(13-4)6-5-10(3)7-8-12/h10-12H,1,5-8H2,2-4H3.
What are the key properties of 6-methoxy-3,7-dimethyloct-7-en-1-ol?
6-methoxy-3,7-dimethyloct-7-en-1-ol has a molecular weight of 186.29 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3,7-dimethyloct-7-en-1-ol is sourced from PubChem (CID 20531628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).