2-[2-[1-(oxolan-2-yl)but-3-en-2-yloxy]but-3-enyl]oxolane

C16H26O3 — CID 70269130

IUPAC2-[2-[1-(oxolan-2-yl)but-3-en-2-yloxy]but-3-enyl]oxolane
SMILESC=CC(CC1CCCO1)OC(C=C)CC1CCCO1
InChIInChI=1S/C16H26O3/c1-3-13(11-15-7-5-9-17-15)19-14(4-2)12-16-8-6-10-18-16/h3-4,13-16H,1-2,5-12H2
InChIKeyIVRRKWRCXGLWHD-UHFFFAOYSA-N
MW266.38 g/mol
LogP3.25
Rot. Bonds8

About 2-[2-[1-(oxolan-2-yl)but-3-en-2-yloxy]but-3-enyl]oxolane

2-[2-[1-(oxolan-2-yl)but-3-en-2-yloxy]but-3-enyl]oxolane (PubChem CID 70269130) has the molecular formula C16H26O3 and a molecular weight of 266.38 g/mol. Its IUPAC name is 2-[2-[1-(oxolan-2-yl)but-3-en-2-yloxy]but-3-enyl]oxolane.

Molecular Properties

Compound Name2-[2-[1-(oxolan-2-yl)but-3-en-2-yloxy]but-3-enyl]oxolane
PubChem CID70269130
Molecular FormulaC16H26O3
Molecular Weight266.38 g/mol
Exact Mass266.19
IUPAC Name2-[2-[1-(oxolan-2-yl)but-3-en-2-yloxy]but-3-enyl]oxolane
SMILESC=CC(CC1CCCO1)OC(C=C)CC1CCCO1
InChIInChI=1S/C16H26O3/c1-3-13(11-15-7-5-9-17-15)19-14(4-2)12-16-8-6-10-18-16/h3-4,13-16H,1-2,5-12H2
InChIKeyIVRRKWRCXGLWHD-UHFFFAOYSA-N
XLogP3.25
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,3-bis(oxolan-2-yl)propan-2-amine
CID 62601237
5-(oxolan-2-yl)pent-1-en-3-ol
CID 115814822
(2S)-2-[2-(bromomethyl)pent-4-enyl]oxolane
CID 165447176
(2R)-1-(oxolan-2-yl)propan-2-amine
CID 104932128
2,5-bis[1-(oxolan-2-yl)propan-2-yl]oxolane
CID 54185574
O-[1-(oxolan-2-yl)propan-2-yl]hydroxylamine
CID 117104758
2-(ethenylsulfanylmethyl)oxolane
CID 19076165
1-methoxy-3-(oxolan-2-yl)propan-2-amine
CID 62604472
hydron;oxolan-2-ylmethanol
CID 174439667
azane;2-ethyloxolane
CID 174465001
oxolan-2-ylmethanol;hydrochloride
CID 155166529
(2S)-2-(3-chloro-2-methylpropyl)oxolane
CID 165447123

Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-(oxolan-2-yl)but-3-en-2-yloxy]but-3-enyl]oxolane?
The IUPAC name of 2-[2-[1-(oxolan-2-yl)but-3-en-2-yloxy]but-3-enyl]oxolane (CID 70269130) is 2-[2-[1-(oxolan-2-yl)but-3-en-2-yloxy]but-3-enyl]oxolane.
What is the SMILES notation for 2-[2-[1-(oxolan-2-yl)but-3-en-2-yloxy]but-3-enyl]oxolane?
The canonical SMILES for 2-[2-[1-(oxolan-2-yl)but-3-en-2-yloxy]but-3-enyl]oxolane is C=CC(CC1CCCO1)OC(C=C)CC1CCCO1.
What is the InChIKey of 2-[2-[1-(oxolan-2-yl)but-3-en-2-yloxy]but-3-enyl]oxolane?
The InChIKey is IVRRKWRCXGLWHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O3/c1-3-13(11-15-7-5-9-17-15)19-14(4-2)12-16-8-6-10-18-16/h3-4,13-16H,1-2,5-12H2.
What are the key properties of 2-[2-[1-(oxolan-2-yl)but-3-en-2-yloxy]but-3-enyl]oxolane?
2-[2-[1-(oxolan-2-yl)but-3-en-2-yloxy]but-3-enyl]oxolane has a molecular weight of 266.38 g/mol, XLogP of 3.25, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-(oxolan-2-yl)but-3-en-2-yloxy]but-3-enyl]oxolane is sourced from PubChem (CID 70269130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).