7-methoxy-7-methyloct-1-en-5-yn-3-ol

C10H16O2 — CID 12504752

IUPAC7-methoxy-7-methyloct-1-en-5-yn-3-ol
SMILESC=CC(O)CC#CC(C)(C)OC
InChIInChI=1S/C10H16O2/c1-5-9(11)7-6-8-10(2,3)12-4/h5,9,11H,1,7H2,2-4H3
InChIKeyDYWVHAZHXWYDLJ-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.35
Rot. Bonds3

About 7-methoxy-7-methyloct-1-en-5-yn-3-ol

7-methoxy-7-methyloct-1-en-5-yn-3-ol (PubChem CID 12504752) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 7-methoxy-7-methyloct-1-en-5-yn-3-ol.

Molecular Properties

Compound Name7-methoxy-7-methyloct-1-en-5-yn-3-ol
PubChem CID12504752
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name7-methoxy-7-methyloct-1-en-5-yn-3-ol
SMILESC=CC(O)CC#CC(C)(C)OC
InChIInChI=1S/C10H16O2/c1-5-9(11)7-6-8-10(2,3)12-4/h5,9,11H,1,7H2,2-4H3
InChIKeyDYWVHAZHXWYDLJ-UHFFFAOYSA-N
XLogP1.35
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-7-methyloct-1-en-5-yn-3-ol?
The IUPAC name of 7-methoxy-7-methyloct-1-en-5-yn-3-ol (CID 12504752) is 7-methoxy-7-methyloct-1-en-5-yn-3-ol.
What is the SMILES notation for 7-methoxy-7-methyloct-1-en-5-yn-3-ol?
The canonical SMILES for 7-methoxy-7-methyloct-1-en-5-yn-3-ol is C=CC(O)CC#CC(C)(C)OC.
What is the InChIKey of 7-methoxy-7-methyloct-1-en-5-yn-3-ol?
The InChIKey is DYWVHAZHXWYDLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-5-9(11)7-6-8-10(2,3)12-4/h5,9,11H,1,7H2,2-4H3.
What are the key properties of 7-methoxy-7-methyloct-1-en-5-yn-3-ol?
7-methoxy-7-methyloct-1-en-5-yn-3-ol has a molecular weight of 168.24 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-7-methyloct-1-en-5-yn-3-ol is sourced from PubChem (CID 12504752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).