2-hept-1-en-3-yloxyoxane

C12H22O2 — CID 20796050

IUPAC2-hept-1-en-3-yloxyoxane
SMILESC=CC(CCCC)OC1CCCCO1
InChIInChI=1S/C12H22O2/c1-3-5-8-11(4-2)14-12-9-6-7-10-13-12/h4,11-12H,2-3,5-10H2,1H3
InChIKeyAXRFKBYWCJGDSS-UHFFFAOYSA-N
MW198.31 g/mol
LogP3.27
Rot. Bonds6

About 2-hept-1-en-3-yloxyoxane

2-hept-1-en-3-yloxyoxane (PubChem CID 20796050) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is 2-hept-1-en-3-yloxyoxane.

Molecular Properties

Compound Name2-hept-1-en-3-yloxyoxane
PubChem CID20796050
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name2-hept-1-en-3-yloxyoxane
SMILESC=CC(CCCC)OC1CCCCO1
InChIInChI=1S/C12H22O2/c1-3-5-8-11(4-2)14-12-9-6-7-10-13-12/h4,11-12H,2-3,5-10H2,1H3
InChIKeyAXRFKBYWCJGDSS-UHFFFAOYSA-N
XLogP3.27
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-oct-1-en-3-yloxyoxane
CID 10727282
2-[(E,4R)-dodec-2-en-4-yl]oxyoxane
CID 102392946
2-(4,4-dimethyloct-1-en-3-yloxy)oxane
CID 139643960
2-hept-1-yn-3-yloxyoxane
CID 558910
(5R)-5-(oxan-2-yloxy)undec-1-en-3-ol
CID 11832481
tributyl-[3-(oxan-2-yloxy)undec-1-enyl]stannane
CID 67865469
2-[(3R)-octan-3-yl]oxyoxane
CID 145000966
2-[(2S)-but-3-en-2-yl]oxyoxane
CID 11019115
2-[(2R)-oxan-2-yl]oxyhexanoic acid
CID 101196631
2-[1-ethenyl-3-(oxan-2-yloxy)hex-5-enoxy]oxane
CID 139677172
2-undec-1-en-4-yn-3-yloxyoxane
CID 100948235
tert-butyl-dimethyl-[(3S,9R,10R)-9-methyl-10-(oxan-2-yloxy)undec-1-en-3-yl]oxysilane
CID 44614682

Frequently Asked Questions

What is the IUPAC name of 2-hept-1-en-3-yloxyoxane?
The IUPAC name of 2-hept-1-en-3-yloxyoxane (CID 20796050) is 2-hept-1-en-3-yloxyoxane.
What is the SMILES notation for 2-hept-1-en-3-yloxyoxane?
The canonical SMILES for 2-hept-1-en-3-yloxyoxane is C=CC(CCCC)OC1CCCCO1.
What is the InChIKey of 2-hept-1-en-3-yloxyoxane?
The InChIKey is AXRFKBYWCJGDSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2/c1-3-5-8-11(4-2)14-12-9-6-7-10-13-12/h4,11-12H,2-3,5-10H2,1H3.
What are the key properties of 2-hept-1-en-3-yloxyoxane?
2-hept-1-en-3-yloxyoxane has a molecular weight of 198.31 g/mol, XLogP of 3.27, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hept-1-en-3-yloxyoxane is sourced from PubChem (CID 20796050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).