2-methoxy-2-methylhept-6-yn-3-ol

C9H16O2 — CID 79197065

IUPAC2-methoxy-2-methylhept-6-yn-3-ol
SMILESC#CCCC(O)C(C)(C)OC
InChIInChI=1S/C9H16O2/c1-5-6-7-8(10)9(2,3)11-4/h1,8,10H,6-7H2,2-4H3
InChIKeyJUCDYENAINCMOR-UHFFFAOYSA-N
MW156.22 g/mol
LogP1.19
Rot. Bonds4

About 2-methoxy-2-methylhept-6-yn-3-ol

2-methoxy-2-methylhept-6-yn-3-ol (PubChem CID 79197065) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 2-methoxy-2-methylhept-6-yn-3-ol.

Molecular Properties

Compound Name2-methoxy-2-methylhept-6-yn-3-ol
PubChem CID79197065
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name2-methoxy-2-methylhept-6-yn-3-ol
SMILESC#CCCC(O)C(C)(C)OC
InChIInChI=1S/C9H16O2/c1-5-6-7-8(10)9(2,3)11-4/h1,8,10H,6-7H2,2-4H3
InChIKeyJUCDYENAINCMOR-UHFFFAOYSA-N
XLogP1.19
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-methylhept-6-yn-3-ol?
The IUPAC name of 2-methoxy-2-methylhept-6-yn-3-ol (CID 79197065) is 2-methoxy-2-methylhept-6-yn-3-ol.
What is the SMILES notation for 2-methoxy-2-methylhept-6-yn-3-ol?
The canonical SMILES for 2-methoxy-2-methylhept-6-yn-3-ol is C#CCCC(O)C(C)(C)OC.
What is the InChIKey of 2-methoxy-2-methylhept-6-yn-3-ol?
The InChIKey is JUCDYENAINCMOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-5-6-7-8(10)9(2,3)11-4/h1,8,10H,6-7H2,2-4H3.
What are the key properties of 2-methoxy-2-methylhept-6-yn-3-ol?
2-methoxy-2-methylhept-6-yn-3-ol has a molecular weight of 156.22 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-methylhept-6-yn-3-ol is sourced from PubChem (CID 79197065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).