(6R)-2-methoxy-2,6,7-trimethyloct-3-yne

C12H22O — CID 58370645

IUPAC(6R)-2-methoxy-2,6,7-trimethyloct-3-yne
SMILESCOC(C)(C)C#CC[C@@H](C)C(C)C
InChIInChI=1S/C12H22O/c1-10(2)11(3)8-7-9-12(4,5)13-6/h10-11H,8H2,1-6H3/t11-/m1/s1
InChIKeyUERSVNVRXOREOH-LLVKDONJSA-N
MW182.31 g/mol
LogP3.10
Rot. Bonds3

About (6R)-2-methoxy-2,6,7-trimethyloct-3-yne

(6R)-2-methoxy-2,6,7-trimethyloct-3-yne (PubChem CID 58370645) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is (6R)-2-methoxy-2,6,7-trimethyloct-3-yne.

Molecular Properties

Compound Name(6R)-2-methoxy-2,6,7-trimethyloct-3-yne
PubChem CID58370645
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name(6R)-2-methoxy-2,6,7-trimethyloct-3-yne
SMILESCOC(C)(C)C#CC[C@@H](C)C(C)C
InChIInChI=1S/C12H22O/c1-10(2)11(3)8-7-9-12(4,5)13-6/h10-11H,8H2,1-6H3/t11-/m1/s1
InChIKeyUERSVNVRXOREOH-LLVKDONJSA-N
XLogP3.10
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (6R)-2-methoxy-2,6,7-trimethyloct-3-yne with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (6R)-2-methoxy-2,6,7-trimethyloct-3-yne?
The IUPAC name of (6R)-2-methoxy-2,6,7-trimethyloct-3-yne (CID 58370645) is (6R)-2-methoxy-2,6,7-trimethyloct-3-yne.
What is the SMILES notation for (6R)-2-methoxy-2,6,7-trimethyloct-3-yne?
The canonical SMILES for (6R)-2-methoxy-2,6,7-trimethyloct-3-yne is COC(C)(C)C#CC[C@@H](C)C(C)C.
What is the InChIKey of (6R)-2-methoxy-2,6,7-trimethyloct-3-yne?
The InChIKey is UERSVNVRXOREOH-LLVKDONJSA-N. The full InChI is InChI=1S/C12H22O/c1-10(2)11(3)8-7-9-12(4,5)13-6/h10-11H,8H2,1-6H3/t11-/m1/s1.
What are the key properties of (6R)-2-methoxy-2,6,7-trimethyloct-3-yne?
(6R)-2-methoxy-2,6,7-trimethyloct-3-yne has a molecular weight of 182.31 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-2-methoxy-2,6,7-trimethyloct-3-yne is sourced from PubChem (CID 58370645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).