5-methoxy-7-methyloct-7-en-4-ol

C10H20O2 — CID 90832430

IUPAC5-methoxy-7-methyloct-7-en-4-ol
SMILESC=C(C)CC(OC)C(O)CCC
InChIInChI=1S/C10H20O2/c1-5-6-9(11)10(12-4)7-8(2)3/h9-11H,2,5-7H2,1,3-4H3
InChIKeyPTQULJUUCCFBQK-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.13
Rot. Bonds6

About 5-methoxy-7-methyloct-7-en-4-ol

5-methoxy-7-methyloct-7-en-4-ol (PubChem CID 90832430) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 5-methoxy-7-methyloct-7-en-4-ol.

Molecular Properties

Compound Name5-methoxy-7-methyloct-7-en-4-ol
PubChem CID90832430
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name5-methoxy-7-methyloct-7-en-4-ol
SMILESC=C(C)CC(OC)C(O)CCC
InChIInChI=1S/C10H20O2/c1-5-6-9(11)10(12-4)7-8(2)3/h9-11H,2,5-7H2,1,3-4H3
InChIKeyPTQULJUUCCFBQK-UHFFFAOYSA-N
XLogP2.13
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 ≤ 52.13
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-7-methyloct-7-en-4-ol?
The IUPAC name of 5-methoxy-7-methyloct-7-en-4-ol (CID 90832430) is 5-methoxy-7-methyloct-7-en-4-ol.
What is the SMILES notation for 5-methoxy-7-methyloct-7-en-4-ol?
The canonical SMILES for 5-methoxy-7-methyloct-7-en-4-ol is C=C(C)CC(OC)C(O)CCC.
What is the InChIKey of 5-methoxy-7-methyloct-7-en-4-ol?
The InChIKey is PTQULJUUCCFBQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-5-6-9(11)10(12-4)7-8(2)3/h9-11H,2,5-7H2,1,3-4H3.
What are the key properties of 5-methoxy-7-methyloct-7-en-4-ol?
5-methoxy-7-methyloct-7-en-4-ol has a molecular weight of 172.27 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-7-methyloct-7-en-4-ol is sourced from PubChem (CID 90832430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).