6-methoxyhept-1-en-4-ol

C8H16O2 — CID 85348640

IUPAC6-methoxyhept-1-en-4-ol
SMILESC=CCC(O)CC(C)OC
InChIInChI=1S/C8H16O2/c1-4-5-8(9)6-7(2)10-3/h4,7-9H,1,5-6H2,2-3H3
InChIKeyDYJMACZSMJUJLN-UHFFFAOYSA-N
MW144.21 g/mol
LogP1.35
Rot. Bonds5

About 6-methoxyhept-1-en-4-ol

6-methoxyhept-1-en-4-ol (PubChem CID 85348640) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is 6-methoxyhept-1-en-4-ol.

Molecular Properties

Compound Name6-methoxyhept-1-en-4-ol
PubChem CID85348640
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name6-methoxyhept-1-en-4-ol
SMILESC=CCC(O)CC(C)OC
InChIInChI=1S/C8H16O2/c1-4-5-8(9)6-7(2)10-3/h4,7-9H,1,5-6H2,2-3H3
InChIKeyDYJMACZSMJUJLN-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 6-methoxyhept-1-en-4-ol?
The IUPAC name of 6-methoxyhept-1-en-4-ol (CID 85348640) is 6-methoxyhept-1-en-4-ol.
What is the SMILES notation for 6-methoxyhept-1-en-4-ol?
The canonical SMILES for 6-methoxyhept-1-en-4-ol is C=CCC(O)CC(C)OC.
What is the InChIKey of 6-methoxyhept-1-en-4-ol?
The InChIKey is DYJMACZSMJUJLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2/c1-4-5-8(9)6-7(2)10-3/h4,7-9H,1,5-6H2,2-3H3.
What are the key properties of 6-methoxyhept-1-en-4-ol?
6-methoxyhept-1-en-4-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 6-methoxyhept-1-en-4-ol is sourced from PubChem (CID 85348640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).