2-hex-5-ynoxy-2-methyloxane

C12H20O2 — CID 102085844

IUPAC2-hex-5-ynoxy-2-methyloxane
SMILESC#CCCCCOC1(C)CCCCO1
InChIInChI=1S/C12H20O2/c1-3-4-5-7-10-13-12(2)9-6-8-11-14-12/h1H,4-11H2,2H3
InChIKeyUNFSUVLEDIKWPW-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.72
Rot. Bonds5

About 2-hex-5-ynoxy-2-methyloxane

2-hex-5-ynoxy-2-methyloxane (PubChem CID 102085844) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 2-hex-5-ynoxy-2-methyloxane.

Molecular Properties

Compound Name2-hex-5-ynoxy-2-methyloxane
PubChem CID102085844
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name2-hex-5-ynoxy-2-methyloxane
SMILESC#CCCCCOC1(C)CCCCO1
InChIInChI=1S/C12H20O2/c1-3-4-5-7-10-13-12(2)9-6-8-11-14-12/h1H,4-11H2,2H3
InChIKeyUNFSUVLEDIKWPW-UHFFFAOYSA-N
XLogP2.72
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethene;2-ethoxy-2-methyloxane
CID 162017972
2-methyl-3-(2-methyloxan-2-yl)oxypropanoic acid
CID 139751509
1-[(pent-4-ynylamino)methyl]cyclohexan-1-ol
CID 115664087
N-hex-5-ynyl-1-methylcyclohexane-1-carboxamide
CID 105056307
2,2-dimethyl-4-pent-4-ynyl-1,4-oxazepane
CID 130917747
4-methoxy-1-(2-methyloxan-2-yl)butan-1-ol
CID 114854964
11-[(2-methylpropan-2-yl)oxy]undec-1-yne
CID 15673920
1-(1-methoxycycloheptyl)hex-5-yn-1-amine
CID 116769884
2-heptyl-2-oct-7-ynyl-1,3-dioxolane
CID 57412166
2-hexyl-2-oct-7-ynyl-1,3-dioxolane
CID 71517735
trideca-1,12-diyne
CID 13119526
heptatriaconta-1,36-diyne
CID 58527209

Frequently Asked Questions

What is the IUPAC name of 2-hex-5-ynoxy-2-methyloxane?
The IUPAC name of 2-hex-5-ynoxy-2-methyloxane (CID 102085844) is 2-hex-5-ynoxy-2-methyloxane.
What is the SMILES notation for 2-hex-5-ynoxy-2-methyloxane?
The canonical SMILES for 2-hex-5-ynoxy-2-methyloxane is C#CCCCCOC1(C)CCCCO1.
What is the InChIKey of 2-hex-5-ynoxy-2-methyloxane?
The InChIKey is UNFSUVLEDIKWPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-3-4-5-7-10-13-12(2)9-6-8-11-14-12/h1H,4-11H2,2H3.
What are the key properties of 2-hex-5-ynoxy-2-methyloxane?
2-hex-5-ynoxy-2-methyloxane has a molecular weight of 196.29 g/mol, XLogP of 2.72, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hex-5-ynoxy-2-methyloxane is sourced from PubChem (CID 102085844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).