2-[(3R)-hept-1-en-3-yl]oxyoxane

C12H22O2 — CID 59098330

IUPAC2-[(3R)-hept-1-en-3-yl]oxyoxane
SMILESC=C[C@@H](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/t11-,12?/m0/s1
InChIKeyAXRFKBYWCJGDSS-PXYINDEMSA-N
MW198.31 g/mol
LogP3.27
Rot. Bonds6

About 2-[(3R)-hept-1-en-3-yl]oxyoxane

2-[(3R)-hept-1-en-3-yl]oxyoxane (PubChem CID 59098330) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is 2-[(3R)-hept-1-en-3-yl]oxyoxane.

Molecular Properties

Compound Name2-[(3R)-hept-1-en-3-yl]oxyoxane
PubChem CID59098330
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name2-[(3R)-hept-1-en-3-yl]oxyoxane
SMILESC=C[C@@H](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/t11-,12?/m0/s1
InChIKeyAXRFKBYWCJGDSS-PXYINDEMSA-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-((Pent-1-en-3-yl)oxy)oxane
CID 14103515
2H-Pyran, 2-(5-hexenyloxy)tetrahydro-
CID 11183036
2-Oct-1-en-3-yloxyoxane
CID 10727282
Lithium 2-oct-1-en-3-yloxyoxane
CID 12838006
2-[(E,3S)-1-iodooct-1-en-3-yl]oxyoxane
CID 14077178
2-(4-Fluorooct-1-en-3-yloxy)oxane
CID 173439621
2-(5-Prop-2-enoxypentoxy)oxane
CID 10900391
(2S,3R)-3-iodo-2-oct-1-en-3-yloxyoxane
CID 11110519
2-Methoxy-3-prop-2-enoxyoxane
CID 53235923
2-[(2s)-Pent-4-en-2-yloxy]tetrahydro-2h-pyran
CID 129758371
(2s)-2-(2-Tetrahydropyranyloxy)hept-6-ene
CID 129866228
2-[(2S)-2-prop-2-enoxypent-4-enoxy]oxane
CID 134832597

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-hept-1-en-3-yl]oxyoxane?
The IUPAC name of 2-[(3R)-hept-1-en-3-yl]oxyoxane (CID 59098330) is 2-[(3R)-hept-1-en-3-yl]oxyoxane.
What is the SMILES notation for 2-[(3R)-hept-1-en-3-yl]oxyoxane?
The canonical SMILES for 2-[(3R)-hept-1-en-3-yl]oxyoxane is C=C[C@@H](CCCC)OC1CCCCO1.
What is the InChIKey of 2-[(3R)-hept-1-en-3-yl]oxyoxane?
The InChIKey is AXRFKBYWCJGDSS-PXYINDEMSA-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/t11-,12?/m0/s1.
What are the key properties of 2-[(3R)-hept-1-en-3-yl]oxyoxane?
2-[(3R)-hept-1-en-3-yl]oxyoxane 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-[(3R)-hept-1-en-3-yl]oxyoxane is sourced from PubChem (CID 59098330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).