5-methoxy-2,7-dimethyloct-7-en-4-ol

C11H22O2 — CID 90920170

IUPAC5-methoxy-2,7-dimethyloct-7-en-4-ol
SMILESC=C(C)CC(OC)C(O)CC(C)C
InChIInChI=1S/C11H22O2/c1-8(2)6-10(12)11(13-5)7-9(3)4/h8,10-12H,3,6-7H2,1-2,4-5H3
InChIKeyWXHGKWBWXOQKPP-UHFFFAOYSA-N
MW186.29 g/mol
LogP2.37
Rot. Bonds6

About 5-methoxy-2,7-dimethyloct-7-en-4-ol

5-methoxy-2,7-dimethyloct-7-en-4-ol (PubChem CID 90920170) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is 5-methoxy-2,7-dimethyloct-7-en-4-ol.

Molecular Properties

Compound Name5-methoxy-2,7-dimethyloct-7-en-4-ol
PubChem CID90920170
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name5-methoxy-2,7-dimethyloct-7-en-4-ol
SMILESC=C(C)CC(OC)C(O)CC(C)C
InChIInChI=1S/C11H22O2/c1-8(2)6-10(12)11(13-5)7-9(3)4/h8,10-12H,3,6-7H2,1-2,4-5H3
InChIKeyWXHGKWBWXOQKPP-UHFFFAOYSA-N
XLogP2.37
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 ≤ 52.37
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 5-methoxy-2,7-dimethyloct-7-en-4-ol?
The IUPAC name of 5-methoxy-2,7-dimethyloct-7-en-4-ol (CID 90920170) is 5-methoxy-2,7-dimethyloct-7-en-4-ol.
What is the SMILES notation for 5-methoxy-2,7-dimethyloct-7-en-4-ol?
The canonical SMILES for 5-methoxy-2,7-dimethyloct-7-en-4-ol is C=C(C)CC(OC)C(O)CC(C)C.
What is the InChIKey of 5-methoxy-2,7-dimethyloct-7-en-4-ol?
The InChIKey is WXHGKWBWXOQKPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2/c1-8(2)6-10(12)11(13-5)7-9(3)4/h8,10-12H,3,6-7H2,1-2,4-5H3.
What are the key properties of 5-methoxy-2,7-dimethyloct-7-en-4-ol?
5-methoxy-2,7-dimethyloct-7-en-4-ol has a molecular weight of 186.29 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2,7-dimethyloct-7-en-4-ol is sourced from PubChem (CID 90920170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).