2-[(Z)-hept-4-en-2,6-diynoxy]oxane

C12H14O2 — CID 10880909

IUPAC2-[(Z)-hept-4-en-2,6-diynoxy]oxane
SMILESC#C/C=C\C#CCOC1CCCCO1
InChIInChI=1S/C12H14O2/c1-2-3-4-5-7-10-13-12-9-6-8-11-14-12/h1,3-4,12H,6,8-11H2/b4-3-
InChIKeyYHUPRNUVQDSVQK-ARJAWSKDSA-N
MW190.24 g/mol
LogP1.72
Rot. Bonds2

About 2-[(Z)-hept-4-en-2,6-diynoxy]oxane

2-[(Z)-hept-4-en-2,6-diynoxy]oxane (PubChem CID 10880909) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is 2-[(Z)-hept-4-en-2,6-diynoxy]oxane.

Molecular Properties

Compound Name2-[(Z)-hept-4-en-2,6-diynoxy]oxane
PubChem CID10880909
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name2-[(Z)-hept-4-en-2,6-diynoxy]oxane
SMILESC#C/C=C\C#CCOC1CCCCO1
InChIInChI=1S/C12H14O2/c1-2-3-4-5-7-10-13-12-9-6-8-11-14-12/h1,3-4,12H,6,8-11H2/b4-3-
InChIKeyYHUPRNUVQDSVQK-ARJAWSKDSA-N
XLogP1.72
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4Z,8Z)-12-(oxan-2-yloxy)dodeca-4,8-dien-2,6,10-triyn-1-ol
CID 10635745
(2R)-2-[(E)-pent-2-en-4-ynoxy]oxane
CID 95562312
2-(4-ethoxybut-2-ynoxy)oxane
CID 68529463
2-hex-2-ynoxyoxane
CID 11041365
2-(4-bromo-4,4-difluorobut-2-ynoxy)oxane;methane;2-prop-2-ynoxyoxane
CID 158983058
(2R)-2-(6-iodohex-2-ynoxy)oxane
CID 124672395
2-(6-bromohex-2-ynoxy)oxane
CID 10801356
2-(3-prop-2-ynoxypropoxy)oxane
CID 14141844
2-[2-(4-prop-2-ynoxybut-2-ynoxy)ethoxy]oxane
CID 154684235
2-dodeca-2,7-diynoxyoxane
CID 57283725
2-(3-phenylprop-2-ynoxy)oxane
CID 11665682
2-(2-methylpent-4-ynoxy)oxane
CID 143125735

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-hept-4-en-2,6-diynoxy]oxane?
The IUPAC name of 2-[(Z)-hept-4-en-2,6-diynoxy]oxane (CID 10880909) is 2-[(Z)-hept-4-en-2,6-diynoxy]oxane.
What is the SMILES notation for 2-[(Z)-hept-4-en-2,6-diynoxy]oxane?
The canonical SMILES for 2-[(Z)-hept-4-en-2,6-diynoxy]oxane is C#C/C=C\C#CCOC1CCCCO1.
What is the InChIKey of 2-[(Z)-hept-4-en-2,6-diynoxy]oxane?
The InChIKey is YHUPRNUVQDSVQK-ARJAWSKDSA-N. The full InChI is InChI=1S/C12H14O2/c1-2-3-4-5-7-10-13-12-9-6-8-11-14-12/h1,3-4,12H,6,8-11H2/b4-3-.
What are the key properties of 2-[(Z)-hept-4-en-2,6-diynoxy]oxane?
2-[(Z)-hept-4-en-2,6-diynoxy]oxane has a molecular weight of 190.24 g/mol, XLogP of 1.72, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-hept-4-en-2,6-diynoxy]oxane is sourced from PubChem (CID 10880909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).