1-methoxy-2-methylhex-5-en-2-ol

C8H16O2 — CID 104656245

IUPAC1-methoxy-2-methylhex-5-en-2-ol
SMILESC=CCCC(C)(O)COC
InChIInChI=1S/C8H16O2/c1-4-5-6-8(2,9)7-10-3/h4,9H,1,5-7H2,2-3H3
InChIKeyLDWZIKHTJYQNHO-UHFFFAOYSA-N
MW144.21 g/mol
LogP1.35
Rot. Bonds5

About 1-methoxy-2-methylhex-5-en-2-ol

1-methoxy-2-methylhex-5-en-2-ol (PubChem CID 104656245) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is 1-methoxy-2-methylhex-5-en-2-ol.

Molecular Properties

Compound Name1-methoxy-2-methylhex-5-en-2-ol
PubChem CID104656245
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name1-methoxy-2-methylhex-5-en-2-ol
SMILESC=CCCC(C)(O)COC
InChIInChI=1S/C8H16O2/c1-4-5-6-8(2,9)7-10-3/h4,9H,1,5-7H2,2-3H3
InChIKeyLDWZIKHTJYQNHO-UHFFFAOYSA-N
XLogP1.35
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 51.35
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 1-methoxy-2-methylhex-5-en-2-ol?
The IUPAC name of 1-methoxy-2-methylhex-5-en-2-ol (CID 104656245) is 1-methoxy-2-methylhex-5-en-2-ol.
What is the SMILES notation for 1-methoxy-2-methylhex-5-en-2-ol?
The canonical SMILES for 1-methoxy-2-methylhex-5-en-2-ol is C=CCCC(C)(O)COC.
What is the InChIKey of 1-methoxy-2-methylhex-5-en-2-ol?
The InChIKey is LDWZIKHTJYQNHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2/c1-4-5-6-8(2,9)7-10-3/h4,9H,1,5-7H2,2-3H3.
What are the key properties of 1-methoxy-2-methylhex-5-en-2-ol?
1-methoxy-2-methylhex-5-en-2-ol has a molecular weight of 144.21 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-methylhex-5-en-2-ol is sourced from PubChem (CID 104656245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).