2-(oxolan-3-ylmethyl)prop-2-enal

C8H12O2 — CID 117266754

IUPAC2-(oxolan-3-ylmethyl)prop-2-enal
SMILESC=C(C=O)CC1CCOC1
InChIInChI=1S/C8H12O2/c1-7(5-9)4-8-2-3-10-6-8/h5,8H,1-4,6H2
InChIKeyJLSHDPONLAHJRZ-UHFFFAOYSA-N
MW140.18 g/mol
LogP1.17
Rot. Bonds3

About 2-(oxolan-3-ylmethyl)prop-2-enal

2-(oxolan-3-ylmethyl)prop-2-enal (PubChem CID 117266754) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is 2-(oxolan-3-ylmethyl)prop-2-enal.

Molecular Properties

Compound Name2-(oxolan-3-ylmethyl)prop-2-enal
PubChem CID117266754
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name2-(oxolan-3-ylmethyl)prop-2-enal
SMILESC=C(C=O)CC1CCOC1
InChIInChI=1S/C8H12O2/c1-7(5-9)4-8-2-3-10-6-8/h5,8H,1-4,6H2
InChIKeyJLSHDPONLAHJRZ-UHFFFAOYSA-N
XLogP1.17
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[(3R,4R)-4-prop-1-en-2-yloxolan-3-yl]acetaldehyde
CID 101580037
2-(Oxan-3-yl)prop-2-enal
CID 117266768
2-(Oxolan-3-yl)prop-2-enal
CID 117266740
2-(Oxan-4-ylmethyl)prop-2-enal
CID 117266761
2-(Oxan-3-ylmethyl)prop-2-enal
CID 117266802
3-(Oxolan-3-yl)but-3-enal
CID 117268234
3-(Oxan-4-yl)but-3-enal
CID 117268290
3-(Oxolan-3-ylmethyl)but-3-enal
CID 117268345
2-(4-Prop-1-en-2-yloxolan-3-yl)acetaldehyde
CID 130036011

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-3-ylmethyl)prop-2-enal?
The IUPAC name of 2-(oxolan-3-ylmethyl)prop-2-enal (CID 117266754) is 2-(oxolan-3-ylmethyl)prop-2-enal.
What is the SMILES notation for 2-(oxolan-3-ylmethyl)prop-2-enal?
The canonical SMILES for 2-(oxolan-3-ylmethyl)prop-2-enal is C=C(C=O)CC1CCOC1.
What is the InChIKey of 2-(oxolan-3-ylmethyl)prop-2-enal?
The InChIKey is JLSHDPONLAHJRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c1-7(5-9)4-8-2-3-10-6-8/h5,8H,1-4,6H2.
What are the key properties of 2-(oxolan-3-ylmethyl)prop-2-enal?
2-(oxolan-3-ylmethyl)prop-2-enal has a molecular weight of 140.18 g/mol, XLogP of 1.17, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-3-ylmethyl)prop-2-enal is sourced from PubChem (CID 117266754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).