6-methoxy-4,6-dimethyloct-1-yne

C11H20O — CID 123603818

IUPAC6-methoxy-4,6-dimethyloct-1-yne
SMILESC#CCC(C)CC(C)(CC)OC
InChIInChI=1S/C11H20O/c1-6-8-10(3)9-11(4,7-2)12-5/h1,10H,7-9H2,2-5H3
InChIKeyWSDSBDCSRKOTCE-UHFFFAOYSA-N
MW168.28 g/mol
LogP2.85
Rot. Bonds5

About 6-methoxy-4,6-dimethyloct-1-yne

6-methoxy-4,6-dimethyloct-1-yne (PubChem CID 123603818) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 6-methoxy-4,6-dimethyloct-1-yne.

Molecular Properties

Compound Name6-methoxy-4,6-dimethyloct-1-yne
PubChem CID123603818
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name6-methoxy-4,6-dimethyloct-1-yne
SMILESC#CCC(C)CC(C)(CC)OC
InChIInChI=1S/C11H20O/c1-6-8-10(3)9-11(4,7-2)12-5/h1,10H,7-9H2,2-5H3
InChIKeyWSDSBDCSRKOTCE-UHFFFAOYSA-N
XLogP2.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-Ethynyl-1-methoxycyclohexane
CID 565190
1-Ethynyl-1-methoxycyclopentane
CID 13781396
1-Heptyne, 3-ethoxy-3,4-dimethyl-
CID 566237
1-Methoxy-1-prop-2-ynylcyclohexane
CID 135084605
3-Ethyl-5-methyl-1-heptyn-3-ol
CID 557731
3-Ethynyl-3-methoxyhept-1-yne
CID 134931197
3-Methoxy-3,4-dimethyl-1-heptyne
CID 557785
1-Hex-1-ynyl-1-methoxycyclohexane
CID 10352756
3-Methoxy-3-methylhept-1-yne
CID 12557021
1-Methoxy-1-prop-1-ynylcyclohexane
CID 12697152
1-But-1-ynyl-1-methoxycyclohexane
CID 12697154
5-Methyl-3-[(2-methylpropan-2-yl)oxy]oct-1-yne
CID 14554425

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-4,6-dimethyloct-1-yne?
The IUPAC name of 6-methoxy-4,6-dimethyloct-1-yne (CID 123603818) is 6-methoxy-4,6-dimethyloct-1-yne.
What is the SMILES notation for 6-methoxy-4,6-dimethyloct-1-yne?
The canonical SMILES for 6-methoxy-4,6-dimethyloct-1-yne is C#CCC(C)CC(C)(CC)OC.
What is the InChIKey of 6-methoxy-4,6-dimethyloct-1-yne?
The InChIKey is WSDSBDCSRKOTCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-6-8-10(3)9-11(4,7-2)12-5/h1,10H,7-9H2,2-5H3.
What are the key properties of 6-methoxy-4,6-dimethyloct-1-yne?
6-methoxy-4,6-dimethyloct-1-yne has a molecular weight of 168.28 g/mol, XLogP of 2.85, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-4,6-dimethyloct-1-yne is sourced from PubChem (CID 123603818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).