2-[(Z,2S)-hex-3-en-2-yl]oxyoxane

C11H20O2 — CID 58329904

IUPAC2-[(Z,2S)-hex-3-en-2-yl]oxyoxane
SMILESCC/C=C\[C@H](C)OC1CCCCO1
InChIInChI=1S/C11H20O2/c1-3-4-7-10(2)13-11-8-5-6-9-12-11/h4,7,10-11H,3,5-6,8-9H2,1-2H3/b7-4-/t10-,11?/m0/s1
InChIKeyNMWLNDPEEWXFPA-QQWGWAMQSA-N
MW184.28 g/mol
LogP2.88
Rot. Bonds4

About 2-[(Z,2S)-hex-3-en-2-yl]oxyoxane

2-[(Z,2S)-hex-3-en-2-yl]oxyoxane (PubChem CID 58329904) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 2-[(Z,2S)-hex-3-en-2-yl]oxyoxane.

Molecular Properties

Compound Name2-[(Z,2S)-hex-3-en-2-yl]oxyoxane
PubChem CID58329904
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name2-[(Z,2S)-hex-3-en-2-yl]oxyoxane
SMILESCC/C=C\[C@H](C)OC1CCCCO1
InChIInChI=1S/C11H20O2/c1-3-4-7-10(2)13-11-8-5-6-9-12-11/h4,7,10-11H,3,5-6,8-9H2,1-2H3/b7-4-/t10-,11?/m0/s1
InChIKeyNMWLNDPEEWXFPA-QQWGWAMQSA-N
XLogP2.88
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[(Z,2S)-hex-3-en-2-yl]oxyoxane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2S)-but-3-en-2-yl]oxyoxane
CID 11019115
2-butan-2-yloxyoxane
CID 559028
2-[(E,2S,8R)-8-methyldec-6-en-2-yl]oxyoxane
CID 102392953
(2S)-2-(oxan-2-yloxy)pentan-3-ol
CID 89265028
(E,2R,3S)-3,6-bis(oxan-2-yloxy)hex-4-en-2-ol
CID 10913620
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
2-(3-methylpentoxy)oxane
CID 14309360
2-(oxan-2-yloxy)propylhydrazine
CID 175028715
(2S,3S)-2-methyl-3-(oxan-2-yloxy)butane-1,4-diol
CID 54016843
tributyl-[(E)-4-(oxan-2-yloxy)pent-1-enyl]stannane
CID 135049326

Frequently Asked Questions

What is the IUPAC name of 2-[(Z,2S)-hex-3-en-2-yl]oxyoxane?
The IUPAC name of 2-[(Z,2S)-hex-3-en-2-yl]oxyoxane (CID 58329904) is 2-[(Z,2S)-hex-3-en-2-yl]oxyoxane.
What is the SMILES notation for 2-[(Z,2S)-hex-3-en-2-yl]oxyoxane?
The canonical SMILES for 2-[(Z,2S)-hex-3-en-2-yl]oxyoxane is CC/C=C\[C@H](C)OC1CCCCO1.
What is the InChIKey of 2-[(Z,2S)-hex-3-en-2-yl]oxyoxane?
The InChIKey is NMWLNDPEEWXFPA-QQWGWAMQSA-N. The full InChI is InChI=1S/C11H20O2/c1-3-4-7-10(2)13-11-8-5-6-9-12-11/h4,7,10-11H,3,5-6,8-9H2,1-2H3/b7-4-/t10-,11?/m0/s1.
What are the key properties of 2-[(Z,2S)-hex-3-en-2-yl]oxyoxane?
2-[(Z,2S)-hex-3-en-2-yl]oxyoxane has a molecular weight of 184.28 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z,2S)-hex-3-en-2-yl]oxyoxane is sourced from PubChem (CID 58329904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).