(E)-5-methoxy-6-methyloct-3-en-1-ol

C10H20O2 — CID 87272665

IUPAC(E)-5-methoxy-6-methyloct-3-en-1-ol
SMILESCCC(C)C(/C=C/CCO)OC
InChIInChI=1S/C10H20O2/c1-4-9(2)10(12-3)7-5-6-8-11/h5,7,9-11H,4,6,8H2,1-3H3/b7-5+
InChIKeyNOAKTIAOWNLDOA-FNORWQNLSA-N
MW172.27 g/mol
LogP1.99
Rot. Bonds6

About (E)-5-methoxy-6-methyloct-3-en-1-ol

(E)-5-methoxy-6-methyloct-3-en-1-ol (PubChem CID 87272665) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is (E)-5-methoxy-6-methyloct-3-en-1-ol.

Molecular Properties

Compound Name(E)-5-methoxy-6-methyloct-3-en-1-ol
PubChem CID87272665
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name(E)-5-methoxy-6-methyloct-3-en-1-ol
SMILESCCC(C)C(/C=C/CCO)OC
InChIInChI=1S/C10H20O2/c1-4-9(2)10(12-3)7-5-6-8-11/h5,7,9-11H,4,6,8H2,1-3H3/b7-5+
InChIKeyNOAKTIAOWNLDOA-FNORWQNLSA-N
XLogP1.99
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 ≤ 51.99
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 (E)-5-methoxy-6-methyloct-3-en-1-ol?
The IUPAC name of (E)-5-methoxy-6-methyloct-3-en-1-ol (CID 87272665) is (E)-5-methoxy-6-methyloct-3-en-1-ol.
What is the SMILES notation for (E)-5-methoxy-6-methyloct-3-en-1-ol?
The canonical SMILES for (E)-5-methoxy-6-methyloct-3-en-1-ol is CCC(C)C(/C=C/CCO)OC.
What is the InChIKey of (E)-5-methoxy-6-methyloct-3-en-1-ol?
The InChIKey is NOAKTIAOWNLDOA-FNORWQNLSA-N. The full InChI is InChI=1S/C10H20O2/c1-4-9(2)10(12-3)7-5-6-8-11/h5,7,9-11H,4,6,8H2,1-3H3/b7-5+.
What are the key properties of (E)-5-methoxy-6-methyloct-3-en-1-ol?
(E)-5-methoxy-6-methyloct-3-en-1-ol has a molecular weight of 172.27 g/mol, XLogP of 1.99, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-methoxy-6-methyloct-3-en-1-ol is sourced from PubChem (CID 87272665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).