2-[3-[3-(oxolan-2-yl)prop-1-enoxy]prop-2-enyl]oxolane

C14H22O3 — CID 57155839

IUPAC2-[3-[3-(oxolan-2-yl)prop-1-enoxy]prop-2-enyl]oxolane
SMILESC(=COC=CCC1CCCO1)CC1CCCO1
InChIInChI=1S/C14H22O3/c1(5-13-7-3-11-16-13)9-15-10-2-6-14-8-4-12-17-14/h1-2,9-10,13-14H,3-8,11-12H2
InChIKeyWIMOUHPOYONGDR-UHFFFAOYSA-N
MW238.33 g/mol
LogP3.17
Rot. Bonds6

About 2-[3-[3-(oxolan-2-yl)prop-1-enoxy]prop-2-enyl]oxolane

2-[3-[3-(oxolan-2-yl)prop-1-enoxy]prop-2-enyl]oxolane (PubChem CID 57155839) has the molecular formula C14H22O3 and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-[3-[3-(oxolan-2-yl)prop-1-enoxy]prop-2-enyl]oxolane.

Molecular Properties

Compound Name2-[3-[3-(oxolan-2-yl)prop-1-enoxy]prop-2-enyl]oxolane
PubChem CID57155839
Molecular FormulaC14H22O3
Molecular Weight238.33 g/mol
Exact Mass238.16
IUPAC Name2-[3-[3-(oxolan-2-yl)prop-1-enoxy]prop-2-enyl]oxolane
SMILESC(=COC=CCC1CCCO1)CC1CCCO1
InChIInChI=1S/C14H22O3/c1(5-13-7-3-11-16-13)9-15-10-2-6-14-8-4-12-17-14/h1-2,9-10,13-14H,3-8,11-12H2
InChIKeyWIMOUHPOYONGDR-UHFFFAOYSA-N
XLogP3.17
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

(Z)-5-(oxolan-2-yl)pent-3-enal
CID 117267682
(2R)-2-[(Z)-pent-2-enyl]oxane
CID 154446695
2-[(Z)-4-isocyanatobut-2-enyl]oxolane
CID 117267649
bis[[(2R)-oxolan-2-yl]methyl] [(2S)-oxolan-2-yl]methyl borate
CID 124629023
(2R)-2-ethyloxolane
CID 641529
[(2R)-oxolan-2-yl]methanamine
CID 2734124
oxolan-2-ylmethyl hypochlorite
CID 22491519
(2R)-2-(sulfanyloxymethyl)oxolane
CID 139553525
1,3-bis(oxolan-2-yl)propan-2-amine
CID 62601237
3-(oxolan-2-yl)-2-(oxolan-2-ylmethyl)propanoic acid
CID 14391738
(2S)-2-[[(2R)-oxolan-2-yl]methylsulfanylmethyl]oxolane
CID 129402242
hydron;oxolan-2-ylmethanol
CID 174439667

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(oxolan-2-yl)prop-1-enoxy]prop-2-enyl]oxolane?
The IUPAC name of 2-[3-[3-(oxolan-2-yl)prop-1-enoxy]prop-2-enyl]oxolane (CID 57155839) is 2-[3-[3-(oxolan-2-yl)prop-1-enoxy]prop-2-enyl]oxolane.
What is the SMILES notation for 2-[3-[3-(oxolan-2-yl)prop-1-enoxy]prop-2-enyl]oxolane?
The canonical SMILES for 2-[3-[3-(oxolan-2-yl)prop-1-enoxy]prop-2-enyl]oxolane is C(=COC=CCC1CCCO1)CC1CCCO1.
What is the InChIKey of 2-[3-[3-(oxolan-2-yl)prop-1-enoxy]prop-2-enyl]oxolane?
The InChIKey is WIMOUHPOYONGDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O3/c1(5-13-7-3-11-16-13)9-15-10-2-6-14-8-4-12-17-14/h1-2,9-10,13-14H,3-8,11-12H2.
What are the key properties of 2-[3-[3-(oxolan-2-yl)prop-1-enoxy]prop-2-enyl]oxolane?
2-[3-[3-(oxolan-2-yl)prop-1-enoxy]prop-2-enyl]oxolane has a molecular weight of 238.33 g/mol, XLogP of 3.17, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-(oxolan-2-yl)prop-1-enoxy]prop-2-enyl]oxolane is sourced from PubChem (CID 57155839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).