3-ethyl-7-methyloct-6-en-3-ol

C11H22O — CID 526764

IUPAC3-ethyl-7-methyloct-6-en-3-ol
SMILESCCC(O)(CC)CCC=C(C)C
InChIInChI=1S/C11H22O/c1-5-11(12,6-2)9-7-8-10(3)4/h8,12H,5-7,9H2,1-4H3
InChIKeyOKANGIKHTABXMV-UHFFFAOYSA-N
MW170.30 g/mol
LogP3.28
Rot. Bonds5

About 3-ethyl-7-methyloct-6-en-3-ol

3-ethyl-7-methyloct-6-en-3-ol (PubChem CID 526764) has the molecular formula C11H22O and a molecular weight of 170.30 g/mol. Its IUPAC name is 3-ethyl-7-methyloct-6-en-3-ol.

Molecular Properties

Compound Name3-ethyl-7-methyloct-6-en-3-ol
PubChem CID526764
Molecular FormulaC11H22O
Molecular Weight170.30 g/mol
Exact Mass170.17
IUPAC Name3-ethyl-7-methyloct-6-en-3-ol
SMILESCCC(O)(CC)CCC=C(C)C
InChIInChI=1S/C11H22O/c1-5-11(12,6-2)9-7-8-10(3)4/h8,12H,5-7,9H2,1-4H3
InChIKeyOKANGIKHTABXMV-UHFFFAOYSA-N
XLogP3.28
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 3-ethyl-7-methyloct-6-en-3-ol?
The IUPAC name of 3-ethyl-7-methyloct-6-en-3-ol (CID 526764) is 3-ethyl-7-methyloct-6-en-3-ol.
What is the SMILES notation for 3-ethyl-7-methyloct-6-en-3-ol?
The canonical SMILES for 3-ethyl-7-methyloct-6-en-3-ol is CCC(O)(CC)CCC=C(C)C.
What is the InChIKey of 3-ethyl-7-methyloct-6-en-3-ol?
The InChIKey is OKANGIKHTABXMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O/c1-5-11(12,6-2)9-7-8-10(3)4/h8,12H,5-7,9H2,1-4H3.
What are the key properties of 3-ethyl-7-methyloct-6-en-3-ol?
3-ethyl-7-methyloct-6-en-3-ol has a molecular weight of 170.30 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-7-methyloct-6-en-3-ol is sourced from PubChem (CID 526764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).