ethane;oxolane-3-carbaldehyde

C7H14O2 — CID 142909173

IUPACethane;oxolane-3-carbaldehyde
SMILESCC.O=CC1CCOC1
InChIInChI=1S/C5H8O2.C2H6/c6-3-5-1-2-7-4-5;1-2/h3,5H,1-2,4H2;1-2H3
InChIKeyRKRNAXWXXPPPBW-UHFFFAOYSA-N
MW130.19 g/mol
LogP1.25
Rot. Bonds1

About ethane;oxolane-3-carbaldehyde

ethane;oxolane-3-carbaldehyde (PubChem CID 142909173) has the molecular formula C7H14O2 and a molecular weight of 130.19 g/mol. Its IUPAC name is ethane;oxolane-3-carbaldehyde.

Molecular Properties

Compound Nameethane;oxolane-3-carbaldehyde
PubChem CID142909173
Molecular FormulaC7H14O2
Molecular Weight130.19 g/mol
Exact Mass130.10
IUPAC Nameethane;oxolane-3-carbaldehyde
SMILESCC.O=CC1CCOC1
InChIInChI=1S/C5H8O2.C2H6/c6-3-5-1-2-7-4-5;1-2/h3,5H,1-2,4H2;1-2H3
InChIKeyRKRNAXWXXPPPBW-UHFFFAOYSA-N
XLogP1.25
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

oxane-3-carbaldehyde;oxan-3-ylmethanol
CID 159628302
3-[(E)-3,3-dimethylbut-1-enyl]oxolane
CID 118487558
3-(2-methoxyethenyl)oxolane
CID 67974652
(Z)-3-[(3S)-oxolan-3-yl]prop-2-enoic acid
CID 124583830
3-[2-(bromomethyl)but-1-enyl]oxolane
CID 115278036
methane;methyl oxane-4-carboxylate;oxane-4-carbaldehyde
CID 158391626
[(E)-oxolan-3-ylmethylideneamino] acetate
CID 87078938
sodium;boranuide;cyclopropanecarbaldehyde
CID 174059838
(2R)-2-methoxy-2-[(3S)-oxolan-3-yl]acetaldehyde
CID 125041775
(2Z)-N-ethyl-2-(oxolan-3-ylmethylidene)butan-1-amine
CID 79329656
cyclohexanecarbaldehyde;ethane;methanol
CID 144911027
ethane;(3R)-oxolan-3-ol
CID 145226146

Frequently Asked Questions

What is the IUPAC name of ethane;oxolane-3-carbaldehyde?
The IUPAC name of ethane;oxolane-3-carbaldehyde (CID 142909173) is ethane;oxolane-3-carbaldehyde.
What is the SMILES notation for ethane;oxolane-3-carbaldehyde?
The canonical SMILES for ethane;oxolane-3-carbaldehyde is CC.O=CC1CCOC1.
What is the InChIKey of ethane;oxolane-3-carbaldehyde?
The InChIKey is RKRNAXWXXPPPBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O2.C2H6/c6-3-5-1-2-7-4-5;1-2/h3,5H,1-2,4H2;1-2H3.
What are the key properties of ethane;oxolane-3-carbaldehyde?
ethane;oxolane-3-carbaldehyde has a molecular weight of 130.19 g/mol, XLogP of 1.25, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;oxolane-3-carbaldehyde is sourced from PubChem (CID 142909173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).