2-hex-1-ynyloxane

C11H18O — CID 5216124

IUPAC2-hex-1-ynyloxane
SMILESCCCCC#CC1CCCCO1
InChIInChI=1S/C11H18O/c1-2-3-4-5-8-11-9-6-7-10-12-11/h11H,2-4,6-7,9-10H2,1H3
InChIKeyYNHZOEPTJVAETG-UHFFFAOYSA-N
MW166.26 g/mol
LogP2.75
Rot. Bonds2

About 2-hex-1-ynyloxane

2-hex-1-ynyloxane (PubChem CID 5216124) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is 2-hex-1-ynyloxane.

Molecular Properties

Compound Name2-hex-1-ynyloxane
PubChem CID5216124
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name2-hex-1-ynyloxane
SMILESCCCCC#CC1CCCCO1
InChIInChI=1S/C11H18O/c1-2-3-4-5-8-11-9-6-7-10-12-11/h11H,2-4,6-7,9-10H2,1H3
InChIKeyYNHZOEPTJVAETG-UHFFFAOYSA-N
XLogP2.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

2-Ethynyloxane
CID 12160932
2-Ethynyl-6-methyloxane
CID 73823629
3-Butoxyoct-1-yne
CID 20555681
3-Butoxy-1-heptyne
CID 88798998
(2S)-2-Ethynyloxane
CID 124405869
3-Pentoxyoct-1-yne
CID 11041692
(2S,3R)-3-iodo-2-oct-1-ynyloxane
CID 12030655
(2R,3S)-3-iodo-2-oct-1-ynyloxane
CID 15420484
2-(Butyltellanylmethyl)oxane
CID 85710919
2-Oct-1-ynyloxane
CID 85875066
2-Ethynyl-6-pentyloxane
CID 85987587
3-Prop-2-ynoxyoct-1-yne
CID 91563507

Frequently Asked Questions

What is the IUPAC name of 2-hex-1-ynyloxane?
The IUPAC name of 2-hex-1-ynyloxane (CID 5216124) is 2-hex-1-ynyloxane.
What is the SMILES notation for 2-hex-1-ynyloxane?
The canonical SMILES for 2-hex-1-ynyloxane is CCCCC#CC1CCCCO1.
What is the InChIKey of 2-hex-1-ynyloxane?
The InChIKey is YNHZOEPTJVAETG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O/c1-2-3-4-5-8-11-9-6-7-10-12-11/h11H,2-4,6-7,9-10H2,1H3.
What are the key properties of 2-hex-1-ynyloxane?
2-hex-1-ynyloxane has a molecular weight of 166.26 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hex-1-ynyloxane is sourced from PubChem (CID 5216124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).