5-methoxy-2-methyloct-1-en-4-ol

C10H20O2 — CID 116711758

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

About 5-methoxy-2-methyloct-1-en-4-ol

5-methoxy-2-methyloct-1-en-4-ol (PubChem CID 116711758) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 5-methoxy-2-methyloct-1-en-4-ol.

Molecular Properties

Compound Name5-methoxy-2-methyloct-1-en-4-ol
PubChem CID116711758
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name5-methoxy-2-methyloct-1-en-4-ol
SMILESC=C(C)CC(O)C(CCC)OC
InChIInChI=1S/C10H20O2/c1-5-6-10(12-4)9(11)7-8(2)3/h9-11H,2,5-7H2,1,3-4H3
InChIKeyQPXRXRHNXLRVPZ-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'}

Analyze 5-methoxy-2-methyloct-1-en-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-methoxy-2-methylnon-1-en-5-ol
CID 114474042
2-methyloct-1-ene-4,5-diol
CID 103454915
4-methoxynonan-5-ol
CID 116711594
1,3-dimethoxyhexan-2-ol
CID 116711716
4-methoxy-7-methyldecan-5-ol
CID 116711734
3-methoxyheptan-4-ol
CID 54045994
4-methoxy-2-methylundec-1-ene
CID 162400851
4-methoxy-2-methylheptan-3-ol
CID 116711593
4-methoxy-2-methyl-7-methylidenedec-1-ene
CID 123789719
3-methoxy-2-methylhexane
CID 23384964
3-methoxy-2-methylhex-1-ene
CID 123417422
ethene;4-ethyl-2-methylhept-1-ene
CID 142412124

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-methyloct-1-en-4-ol?
The IUPAC name of 5-methoxy-2-methyloct-1-en-4-ol (CID 116711758) is 5-methoxy-2-methyloct-1-en-4-ol.
What is the SMILES notation for 5-methoxy-2-methyloct-1-en-4-ol?
The canonical SMILES for 5-methoxy-2-methyloct-1-en-4-ol is C=C(C)CC(O)C(CCC)OC.
What is the InChIKey of 5-methoxy-2-methyloct-1-en-4-ol?
The InChIKey is QPXRXRHNXLRVPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-5-6-10(12-4)9(11)7-8(2)3/h9-11H,2,5-7H2,1,3-4H3.
What are the key properties of 5-methoxy-2-methyloct-1-en-4-ol?
5-methoxy-2-methyloct-1-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-2-methyloct-1-en-4-ol is sourced from PubChem (CID 116711758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).