5-methoxy-6-methyloct-7-en-3-ol

C10H20O2 — CID 155142886

IUPAC5-methoxy-6-methyloct-7-en-3-ol
SMILESC=CC(C)C(CC(O)CC)OC
InChIInChI=1S/C10H20O2/c1-5-8(3)10(12-4)7-9(11)6-2/h5,8-11H,1,6-7H2,2-4H3
InChIKeyMMWRXORVBRLALL-UHFFFAOYSA-N
MW172.27 g/mol
LogP1.98
Rot. Bonds6

About 5-methoxy-6-methyloct-7-en-3-ol

5-methoxy-6-methyloct-7-en-3-ol (PubChem CID 155142886) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 5-methoxy-6-methyloct-7-en-3-ol.

Molecular Properties

Compound Name5-methoxy-6-methyloct-7-en-3-ol
PubChem CID155142886
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name5-methoxy-6-methyloct-7-en-3-ol
SMILESC=CC(C)C(CC(O)CC)OC
InChIInChI=1S/C10H20O2/c1-5-8(3)10(12-4)7-9(11)6-2/h5,8-11H,1,6-7H2,2-4H3
InChIKeyMMWRXORVBRLALL-UHFFFAOYSA-N
XLogP1.98
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 51.98
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-6-methyloct-7-en-3-ol?
The IUPAC name of 5-methoxy-6-methyloct-7-en-3-ol (CID 155142886) is 5-methoxy-6-methyloct-7-en-3-ol.
What is the SMILES notation for 5-methoxy-6-methyloct-7-en-3-ol?
The canonical SMILES for 5-methoxy-6-methyloct-7-en-3-ol is C=CC(C)C(CC(O)CC)OC.
What is the InChIKey of 5-methoxy-6-methyloct-7-en-3-ol?
The InChIKey is MMWRXORVBRLALL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-5-8(3)10(12-4)7-9(11)6-2/h5,8-11H,1,6-7H2,2-4H3.
What are the key properties of 5-methoxy-6-methyloct-7-en-3-ol?
5-methoxy-6-methyloct-7-en-3-ol has a molecular weight of 172.27 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-6-methyloct-7-en-3-ol is sourced from PubChem (CID 155142886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).