3-prop-2-ynyl-2-(3-prop-2-ynyloxan-2-yl)oxyoxane

C16H22O3 — CID 88821575

IUPAC3-prop-2-ynyl-2-(3-prop-2-ynyloxan-2-yl)oxyoxane
SMILESC#CCC1CCCOC1OC1OCCCC1CC#C
InChIInChI=1S/C16H22O3/c1-3-7-13-9-5-11-17-15(13)19-16-14(8-4-2)10-6-12-18-16/h1-2,13-16H,5-12H2
InChIKeySHLGECNAQWZIIQ-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.56
Rot. Bonds4

About 3-prop-2-ynyl-2-(3-prop-2-ynyloxan-2-yl)oxyoxane

3-prop-2-ynyl-2-(3-prop-2-ynyloxan-2-yl)oxyoxane (PubChem CID 88821575) has the molecular formula C16H22O3 and a molecular weight of 262.35 g/mol. Its IUPAC name is 3-prop-2-ynyl-2-(3-prop-2-ynyloxan-2-yl)oxyoxane.

Molecular Properties

Compound Name3-prop-2-ynyl-2-(3-prop-2-ynyloxan-2-yl)oxyoxane
PubChem CID88821575
Molecular FormulaC16H22O3
Molecular Weight262.35 g/mol
Exact Mass262.16
IUPAC Name3-prop-2-ynyl-2-(3-prop-2-ynyloxan-2-yl)oxyoxane
SMILESC#CCC1CCCOC1OC1OCCCC1CC#C
InChIInChI=1S/C16H22O3/c1-3-7-13-9-5-11-17-15(13)19-16-14(8-4-2)10-6-12-18-16/h1-2,13-16H,5-12H2
InChIKeySHLGECNAQWZIIQ-UHFFFAOYSA-N
XLogP2.56
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(11-bromoundecyl)-2-[3-(11-bromoundecyl)oxan-2-yl]oxyoxane
CID 57288938
3-[(Z)-10-fluorodec-3-enyl]-2-[3-[(Z)-10-fluorodec-3-enyl]oxan-2-yl]oxyoxane
CID 70505907
N-[(2R)-2-prop-2-ynyloxan-3-yl]acetamide
CID 166480159
2-prop-2-ynylcycloheptan-1-amine
CID 62603077
cis-(1R,2S)-2-prop-2-ynylcyclopentan-1-ol
CID 12791811
trans-(1S,2S)-2-prop-2-ynylcyclopentan-1-ol
CID 12791810
(2-prop-2-ynylcyclohexyl)methanamine
CID 81010145
2-prop-2-ynylcyclopentane-1-carboxylic acid
CID 81009322
1-cyclopentyl-2-prop-2-ynylcyclohexane
CID 123596772
1-[(1R,2R)-2-prop-2-ynylcyclohexyl]ethanone
CID 45086319
1-(2-prop-2-ynylcyclopentyl)ethanone
CID 12676535
N-methyl-2-prop-2-ynylcycloheptan-1-amine
CID 62604959

Frequently Asked Questions

What is the IUPAC name of 3-prop-2-ynyl-2-(3-prop-2-ynyloxan-2-yl)oxyoxane?
The IUPAC name of 3-prop-2-ynyl-2-(3-prop-2-ynyloxan-2-yl)oxyoxane (CID 88821575) is 3-prop-2-ynyl-2-(3-prop-2-ynyloxan-2-yl)oxyoxane.
What is the SMILES notation for 3-prop-2-ynyl-2-(3-prop-2-ynyloxan-2-yl)oxyoxane?
The canonical SMILES for 3-prop-2-ynyl-2-(3-prop-2-ynyloxan-2-yl)oxyoxane is C#CCC1CCCOC1OC1OCCCC1CC#C.
What is the InChIKey of 3-prop-2-ynyl-2-(3-prop-2-ynyloxan-2-yl)oxyoxane?
The InChIKey is SHLGECNAQWZIIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O3/c1-3-7-13-9-5-11-17-15(13)19-16-14(8-4-2)10-6-12-18-16/h1-2,13-16H,5-12H2.
What are the key properties of 3-prop-2-ynyl-2-(3-prop-2-ynyloxan-2-yl)oxyoxane?
3-prop-2-ynyl-2-(3-prop-2-ynyloxan-2-yl)oxyoxane has a molecular weight of 262.35 g/mol, XLogP of 2.56, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-2-ynyl-2-(3-prop-2-ynyloxan-2-yl)oxyoxane is sourced from PubChem (CID 88821575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).