2-[(2S)-but-3-en-2-yl]oxyoxane

C9H16O2 — CID 11019115

IUPAC2-[(2S)-but-3-en-2-yl]oxyoxane
SMILESC=C[C@H](C)OC1CCCCO1
InChIInChI=1S/C9H16O2/c1-3-8(2)11-9-6-4-5-7-10-9/h3,8-9H,1,4-7H2,2H3/t8-,9?/m0/s1
InChIKeyBNMTZMVOUYLKCV-IENPIDJESA-N
MW156.22 g/mol
LogP2.10
Rot. Bonds3

About 2-[(2S)-but-3-en-2-yl]oxyoxane

2-[(2S)-but-3-en-2-yl]oxyoxane (PubChem CID 11019115) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 2-[(2S)-but-3-en-2-yl]oxyoxane.

Molecular Properties

Compound Name2-[(2S)-but-3-en-2-yl]oxyoxane
PubChem CID11019115
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name2-[(2S)-but-3-en-2-yl]oxyoxane
SMILESC=C[C@H](C)OC1CCCCO1
InChIInChI=1S/C9H16O2/c1-3-8(2)11-9-6-4-5-7-10-9/h3,8-9H,1,4-7H2,2H3/t8-,9?/m0/s1
InChIKeyBNMTZMVOUYLKCV-IENPIDJESA-N
XLogP2.10
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 52.10
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-[(Z,2S)-hex-3-en-2-yl]oxyoxane
CID 58329904
2-(1-cyclohexylprop-2-enoxy)oxane
CID 54027830
2-hept-1-en-3-yloxyoxane
CID 20796050
(2S)-2-hept-6-en-2-yloxyoxane
CID 139755185
2-butan-2-yloxyoxane
CID 559028
2-oct-1-en-3-yloxyoxane
CID 10727282
2-(4,4-dimethyloct-1-en-3-yloxy)oxane
CID 139643960
2-(oxan-2-yloxy)propanoic acid
CID 542280
2-[1-ethenyl-3-(oxan-2-yloxy)hex-5-enoxy]oxane
CID 139677172
1,1-dideuterio-2-(oxan-2-yloxy)propan-1-ol
CID 169284168
(3R)-3-[(2R)-oxan-2-yl]oxybutan-1-amine
CID 98010101
(3S)-3-(oxan-2-yloxy)butan-1-ol
CID 15019404

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-but-3-en-2-yl]oxyoxane?
The IUPAC name of 2-[(2S)-but-3-en-2-yl]oxyoxane (CID 11019115) is 2-[(2S)-but-3-en-2-yl]oxyoxane.
What is the SMILES notation for 2-[(2S)-but-3-en-2-yl]oxyoxane?
The canonical SMILES for 2-[(2S)-but-3-en-2-yl]oxyoxane is C=C[C@H](C)OC1CCCCO1.
What is the InChIKey of 2-[(2S)-but-3-en-2-yl]oxyoxane?
The InChIKey is BNMTZMVOUYLKCV-IENPIDJESA-N. The full InChI is InChI=1S/C9H16O2/c1-3-8(2)11-9-6-4-5-7-10-9/h3,8-9H,1,4-7H2,2H3/t8-,9?/m0/s1.
What are the key properties of 2-[(2S)-but-3-en-2-yl]oxyoxane?
2-[(2S)-but-3-en-2-yl]oxyoxane has a molecular weight of 156.22 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-but-3-en-2-yl]oxyoxane is sourced from PubChem (CID 11019115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).